 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer03_STD_wB97XD_augccpVDZ.in
 Output=31_naproxen_conformer03_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-59574.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     59576.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer03_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:14:27 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer03_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.534503000000     -0.540241000000      0.250726000000
  C                                                 1.208047000000      0.686254000000     -0.018994000000
  C                                                -0.871111000000     -0.548582000000      0.352837000000
  C                                                -1.615360000000      0.600511000000      0.194237000000
  C                                                -0.937903000000      1.810722000000     -0.077253000000
  C                                                 0.429321000000      1.854269000000     -0.179299000000
  C                                                 1.312272000000     -1.716102000000      0.408925000000
  H                                                -1.366601000000     -1.491361000000      0.557454000000
  H                                                -1.515348000000      2.718805000000     -0.203162000000
  H                                                 0.928391000000      2.793066000000     -0.386339000000
  C                                                -3.123514000000      0.580399000000      0.330991000000
  C                                                -3.582702000000      0.341624000000      1.771049000000
  C                                                -3.808238000000     -0.400692000000     -0.629910000000
  H                                                -3.495206000000      1.561723000000      0.013814000000
  H                                                -3.241865000000     -0.630545000000      2.127829000000
  H                                                -4.668885000000      0.361293000000      1.833837000000
  H                                                -3.169487000000      1.109726000000      2.424876000000
  O                                                -4.830838000000     -0.974186000000     -0.383978000000
  O                                                -3.217917000000     -0.549143000000     -1.838643000000
  H                                                -2.355614000000     -0.107100000000     -1.835698000000
  C                                                 2.671053000000     -1.679537000000      0.307450000000
  C                                                 3.338655000000     -0.457152000000      0.039453000000
  C                                                 2.621063000000      0.703564000000     -0.121448000000
  O                                                 4.689861000000     -0.555418000000     -0.036901000000
  C                                                 5.432086000000      0.622962000000     -0.304199000000
  H                                                 0.808612000000     -2.652916000000      0.612592000000
  H                                                 3.271812000000     -2.571003000000      0.426688000000
  H                                                 3.110374000000      1.644342000000     -0.326736000000
  H                                                 5.158044000000      1.051824000000     -1.272282000000
  H                                                 6.476520000000      0.322638000000     -0.322951000000
  H                                                 5.281369000000      1.371486000000      0.478872000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:14:28 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.534503   -0.540241    0.250726
      2          6           0        1.208047    0.686254   -0.018994
      3          6           0       -0.871111   -0.548582    0.352837
      4          6           0       -1.615360    0.600511    0.194237
      5          6           0       -0.937903    1.810722   -0.077253
      6          6           0        0.429321    1.854269   -0.179299
      7          6           0        1.312272   -1.716102    0.408925
      8          1           0       -1.366601   -1.491361    0.557454
      9          1           0       -1.515348    2.718805   -0.203162
     10          1           0        0.928391    2.793066   -0.386339
     11          6           0       -3.123514    0.580399    0.330991
     12          6           0       -3.582702    0.341624    1.771049
     13          6           0       -3.808238   -0.400692   -0.629910
     14          1           0       -3.495206    1.561723    0.013814
     15          1           0       -3.241865   -0.630545    2.127829
     16          1           0       -4.668885    0.361293    1.833837
     17          1           0       -3.169487    1.109726    2.424876
     18          8           0       -4.830838   -0.974186   -0.383978
     19          8           0       -3.217917   -0.549143   -1.838643
     20          1           0       -2.355614   -0.107100   -1.835698
     21          6           0        2.671053   -1.679537    0.307450
     22          6           0        3.338655   -0.457152    0.039453
     23          6           0        2.621063    0.703564   -0.121448
     24          8           0        4.689861   -0.555418   -0.036901
     25          6           0        5.432086    0.622962   -0.304199
     26          1           0        0.808612   -2.652916    0.612592
     27          1           0        3.271812   -2.571003    0.426688
     28          1           0        3.110374    1.644342   -0.326736
     29          1           0        5.158044    1.051824   -1.272282
     30          1           0        6.476520    0.322638   -0.322951
     31          1           0        5.281369    1.371486    0.478872
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.425026   0.000000
     3  C    1.409343   2.446625   0.000000
     4  C    2.434423   2.832745   1.378215   0.000000
     5  C    2.793309   2.423412   2.399115   1.413246   0.000000
     6  C    2.435090   1.412930   2.783520   2.427377   1.371718
     7  C    1.418662   2.442395   2.476572   3.739494   4.211668
     8  H    2.147768   3.420981   1.084532   2.137694   3.389747
     9  H    3.876762   3.403243   3.376388   2.157568   1.083472
    10  H    3.416421   2.156805   3.866678   3.408084   2.131569
    11  C    3.826665   4.346966   2.519602   1.514475   2.541113
    12  C    4.476656   5.125846   3.186929   2.534520   3.545339
    13  C    4.433328   5.168925   3.100706   2.547615   3.665325
    14  H    4.551147   4.784152   3.384405   2.119033   2.571010
    15  H    4.218131   5.113172   2.962733   2.810657   4.016268
    16  H    5.513098   6.170649   4.176640   3.474123   4.435463
    17  H    4.600963   5.031365   3.510821   2.765929   3.425202
    18  O    5.420151   6.273628   4.050120   3.626748   4.796325
    19  O    4.294904   4.942316   3.210932   2.832401   3.724234
    20  H    3.590759   4.077929   2.681108   2.273615   2.963119
    21  C    2.421995   2.800700   3.718608   4.856416   5.035322
    22  C    2.813327   2.418736   4.222404   5.068025   4.842089
    23  C    2.457498   1.416831   3.740066   4.249418   3.727464
    24  O    4.165328   3.696633   5.574617   6.414469   6.105078
    25  C    5.064317   4.234130   6.444727   7.065086   6.483752
    26  H    2.160898   3.421769   2.705026   4.078658   4.842547
    27  H    3.412890   3.881685   4.610797   5.830693   6.097144
    28  H    3.426511   2.152089   4.595972   4.867603   4.059368
    29  H    5.121656   4.160150   6.446163   6.945024   6.258162
    30  H    6.031686   5.289746   7.429899   8.113151   7.566269
    31  H    5.122449   4.160453   6.446360   6.945523   6.259517
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.724669   0.000000
     8  H    3.867994   2.692384   0.000000
     9  H    2.128316   5.295138   4.280906   0.000000
    10  H    1.083179   4.594824   4.951166   2.451720   0.000000
    11  C    3.808645   4.995617   2.725843   2.728424   4.672086
    12  C    4.710444   5.481823   3.121498   3.717856   5.569008
    13  C    4.821287   5.387866   2.925916   3.894961   5.717960
    14  H    3.940151   5.831989   3.761360   2.303422   4.609180
    15  H    4.997474   4.987307   2.593009   4.430861   5.952578
    16  H    5.680968   6.490006   3.995818   4.433060   6.494013
    17  H    4.504164   5.668821   3.674686   3.497413   5.246825
    18  O    5.975895   6.238344   3.626941   4.966221   6.881926
    19  O    4.672489   5.189987   3.171187   4.031504   5.520092
    20  H    3.787676   4.591362   2.936239   3.370009   4.614791
    21  C    4.213083   1.363055   4.049761   6.093611   4.849989
    22  C    3.722196   2.414061   4.845343   5.805765   4.068733
    23  C    2.476126   2.801609   4.602181   4.601931   2.702096
    24  O    4.896843   3.599174   6.157108   7.018034   5.048080
    25  C    5.153579   4.790891   7.171817   7.257383   4.999937
    26  H    4.591914   1.082947   2.466536   5.909453   5.538134
    27  H    5.294337   2.137982   4.764200   7.162100   5.909811
    28  H    2.693298   3.881617   5.536942   4.750478   2.466611
    29  H    4.919284   5.027707   7.237867   6.961035   4.659054
    30  H    6.239803   5.600139   8.098164   8.344215   6.073612
    31  H    4.920227   5.029098   7.238617   6.962457   4.660246
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.530240   0.000000
    13  C    1.534509   2.523193   0.000000
    14  H    1.096245   2.141068   2.088885   0.000000
    15  H    2.170027   1.090218   2.824665   3.056024   0.000000
    16  H    2.166731   1.088174   2.718710   2.476093   1.762544
    17  H    2.160244   1.090054   3.467143   2.474594   1.766923
    18  O    2.417203   2.816619   1.197952   2.893611   2.992006
    19  O    2.447874   3.735828   1.353348   2.822099   3.967379
    20  H    2.399347   3.836108   1.910559   2.739404   4.094995
    21  C    6.219716   6.733251   6.670480   6.972427   6.275091
    22  C    6.551422   7.179251   7.178392   7.125880   6.906129
    23  C    5.763682   6.496095   6.543228   6.177660   6.419737
    24  O    7.904066   8.515202   8.520169   8.454595   8.222164
    25  C    8.579252   9.254848   9.302556   8.982146   9.095244
    26  H    5.098553   5.439939   5.285038   6.053476   4.774127
    27  H    7.130266   7.568029   7.480224   7.939926   7.006229
    28  H    6.358140   7.134076   7.220891   6.614869   7.179898
    29  H    8.448487   9.282612   9.105858   8.763149   9.216810
    30  H    9.625733  10.274879  10.314731  10.054057  10.067864
    31  H    8.443326   9.016767   9.326895   8.790946   8.909136
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.776984   0.000000
    18  O    2.593923   3.872007   0.000000
    19  O    4.052322   4.575127   2.213194   0.000000
    20  H    4.363038   4.505058   2.997676   0.969008   0.000000
    21  C    7.769783   6.809948   7.566635   6.368946   5.686213
    22  C    8.246840   7.106424   8.196782   6.820876   6.005283
    23  C    7.555371   6.338707   7.642944   6.213833   5.325706
    24  O    9.587812   8.402524   9.536222   8.110442   7.285285
    25  C   10.328082   9.037248  10.386763   8.862895   7.970367
    26  H    6.370233   5.767766   5.967804   5.162107   4.742112
    27  H    8.580973   7.683154   8.298189   7.164930   6.546536
    28  H    8.175033   6.877051   8.361986   6.866186   5.934774
    29  H   10.329247   9.111537  10.230912   8.546378   7.623359
    30  H   11.352237  10.060592  11.381644   9.850860   8.971046
    31  H   10.092768   8.675968  10.416497   9.016516   8.115846
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.418358   0.000000
    23  C    2.421905   1.374078   0.000000
    24  O    2.336195   1.356924   2.423243   0.000000
    25  C    3.646768   2.380587   2.818110   1.418071   0.000000
    26  H    2.123503   3.398674   3.884553   4.459309   5.740069
    27  H    1.081592   2.150066   3.383300   2.507660   3.924588
    28  H    3.412238   2.145340   1.080107   2.723551   2.536547
    29  H    4.017588   2.703301   2.807486   2.080526   1.093712
    30  H    4.345997   3.253553   3.879466   2.011208   1.086917
    31  H    4.018940   2.703913   2.807798   2.080592   1.093711
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471563   0.000000
    28  H    4.964562   4.285189   0.000000
    29  H    6.016262   4.423714   2.331971   0.000000
    30  H    6.469493   4.382382   3.616332   1.780820   0.000000
    31  H    6.018243   4.425411   2.331668   1.784358   1.780839
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.39D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.534503   -0.540241    0.250726
      2          6           0        1.208047    0.686254   -0.018994
      3          6           0       -0.871111   -0.548582    0.352837
      4          6           0       -1.615360    0.600511    0.194237
      5          6           0       -0.937903    1.810722   -0.077253
      6          6           0        0.429321    1.854269   -0.179299
      7          6           0        1.312272   -1.716102    0.408925
      8          1           0       -1.366601   -1.491361    0.557454
      9          1           0       -1.515348    2.718805   -0.203162
     10          1           0        0.928391    2.793066   -0.386339
     11          6           0       -3.123514    0.580399    0.330991
     12          6           0       -3.582702    0.341624    1.771049
     13          6           0       -3.808238   -0.400692   -0.629910
     14          1           0       -3.495206    1.561723    0.013814
     15          1           0       -3.241865   -0.630545    2.127829
     16          1           0       -4.668885    0.361293    1.833837
     17          1           0       -3.169487    1.109726    2.424876
     18          8           0       -4.830838   -0.974186   -0.383978
     19          8           0       -3.217917   -0.549143   -1.838643
     20          1           0       -2.355614   -0.107100   -1.835698
     21          6           0        2.671053   -1.679537    0.307450
     22          6           0        3.338655   -0.457152    0.039453
     23          6           0        2.621063    0.703564   -0.121448
     24          8           0        4.689861   -0.555418   -0.036901
     25          6           0        5.432086    0.622962   -0.304199
     26          1           0        0.808612   -2.652916    0.612592
     27          1           0        3.271812   -2.571003    0.426688
     28          1           0        3.110374    1.644342   -0.326736
     29          1           0        5.158044    1.051824   -1.272282
     30          1           0        6.476520    0.322638   -0.322951
     31          1           0        5.281369    1.371486    0.478872
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3250595           0.2107099           0.2001932
 Leave Link  202 at Thu Aug 12 22:14:28 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1136.4794098437 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0210315396 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1136.4583783041 Hartrees.
 Leave Link  301 at Thu Aug 12 22:14:29 2021, MaxMem=  5368709120 cpu:              10.4 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.46D-06  NBF=   517
 NBsUse=   513 1.00D-06 EigRej=  9.61D-07 NBFU=   513
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 22:14:30 2021, MaxMem=  5368709120 cpu:               5.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:14:30 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer03_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:14:31 2021, MaxMem=  5368709120 cpu:               6.6 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.449873926430    
 DIIS: error= 1.72D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.449873926430     IErMin= 1 ErrMin= 1.72D-03
 ErrMax= 1.72D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.40D-03 BMatP= 9.40D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.72D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.300 Goal=   None    Shift=    0.000
 GapD=    0.300 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.07D-02 MaxDP=6.28D+00              OVMax= 1.33D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.40D-02    CP:  1.44D+00
 E= -767.457197029784     Delta-E=       -0.007323103354 Rises=F Damp=F
 DIIS: error= 2.78D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.457197029784     IErMin= 2 ErrMin= 2.78D-04
 ErrMax= 2.78D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.04D-04 BMatP= 9.40D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.78D-03
 Coeff-Com: -0.263D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.262D-01 0.103D+01
 Gap=     0.300 Goal=   None    Shift=    0.000
 RMSDP=7.18D-03 MaxDP=9.01D-01 DE=-7.32D-03 OVMax= 5.15D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.56D-03    CP:  1.51D+00  1.13D+00
 E= -767.457366779382     Delta-E=       -0.000169749597 Rises=F Damp=F
 DIIS: error= 3.29D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -767.457366779382     IErMin= 2 ErrMin= 2.78D-04
 ErrMax= 3.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.02D-04 BMatP= 2.04D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.29D-03
 Coeff-Com: -0.378D-01 0.525D+00 0.512D+00
 Coeff-En:   0.000D+00 0.515D-01 0.948D+00
 Coeff:     -0.376D-01 0.524D+00 0.514D+00
 Gap=     0.300 Goal=   None    Shift=    0.000
 RMSDP=4.98D-04 MaxDP=6.13D-02 DE=-1.70D-04 OVMax= 1.77D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.88D-05    CP:  1.52D+00  1.14D+00  1.09D+00
 E= -767.457507085420     Delta-E=       -0.000140306038 Rises=F Damp=F
 DIIS: error= 5.27D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.457507085420     IErMin= 4 ErrMin= 5.27D-05
 ErrMax= 5.27D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.61D-06 BMatP= 2.02D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.342D-02-0.169D-01 0.903D-01 0.930D+00
 Coeff:     -0.342D-02-0.169D-01 0.903D-01 0.930D+00
 Gap=     0.300 Goal=   None    Shift=    0.000
 RMSDP=2.44D-04 MaxDP=2.95D-02 DE=-1.40D-04 OVMax= 1.06D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.25D-05    CP:  1.52D+00  1.14D+00  1.16D+00  1.27D+00
 E= -767.457514350686     Delta-E=       -0.000007265267 Rises=F Damp=F
 DIIS: error= 2.61D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.457514350686     IErMin= 5 ErrMin= 2.61D-05
 ErrMax= 2.61D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-06 BMatP= 4.61D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.197D-02-0.541D-01-0.143D-01 0.386D+00 0.680D+00
 Coeff:      0.197D-02-0.541D-01-0.143D-01 0.386D+00 0.680D+00
 Gap=     0.300 Goal=   None    Shift=    0.000
 RMSDP=3.34D-05 MaxDP=2.36D-03 DE=-7.27D-06 OVMax= 4.23D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.99D-05    CP:  1.52D+00  1.14D+00  1.18D+00  1.37D+00  1.18D+00
 E= -767.457515795293     Delta-E=       -0.000001444607 Rises=F Damp=F
 DIIS: error= 1.23D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.457515795293     IErMin= 6 ErrMin= 1.23D-05
 ErrMax= 1.23D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.78D-07 BMatP= 1.14D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.134D-02-0.219D-01-0.183D-01 0.509D-01 0.299D+00 0.689D+00
 Coeff:      0.134D-02-0.219D-01-0.183D-01 0.509D-01 0.299D+00 0.689D+00
 Gap=     0.300 Goal=   None    Shift=    0.000
 RMSDP=1.53D-05 MaxDP=1.59D-03 DE=-1.44D-06 OVMax= 1.82D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.06D-06    CP:  1.52D+00  1.14D+00  1.18D+00  1.39D+00  1.25D+00
                    CP:  1.17D+00
 E= -767.457516042168     Delta-E=       -0.000000246875 Rises=F Damp=F
 DIIS: error= 5.83D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.457516042168     IErMin= 7 ErrMin= 5.83D-06
 ErrMax= 5.83D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-08 BMatP= 1.78D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.201D-03 0.526D-03-0.407D-02-0.465D-01-0.138D-02 0.262D+00
 Coeff-Com:  0.789D+00
 Coeff:      0.201D-03 0.526D-03-0.407D-02-0.465D-01-0.138D-02 0.262D+00
 Coeff:      0.789D+00
 Gap=     0.300 Goal=   None    Shift=    0.000
 RMSDP=1.09D-05 MaxDP=1.30D-03 DE=-2.47D-07 OVMax= 1.07D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.38D-06    CP:  1.52D+00  1.14D+00  1.17D+00  1.39D+00  1.28D+00
                    CP:  1.22D+00  1.34D+00
 E= -767.457516095648     Delta-E=       -0.000000053480 Rises=F Damp=F
 DIIS: error= 2.69D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.457516095648     IErMin= 8 ErrMin= 2.69D-06
 ErrMax= 2.69D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.11D-09 BMatP= 2.60D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.158D-03 0.385D-02 0.210D-02-0.241D-01-0.527D-01-0.427D-01
 Coeff-Com:  0.270D+00 0.844D+00
 Coeff:     -0.158D-03 0.385D-02 0.210D-02-0.241D-01-0.527D-01-0.427D-01
 Coeff:      0.270D+00 0.844D+00
 Gap=     0.300 Goal=   None    Shift=    0.000
 RMSDP=3.16D-06 MaxDP=3.16D-04 DE=-5.35D-08 OVMax= 5.96D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.02D-06    CP:  1.52D+00  1.14D+00  1.17D+00  1.39D+00  1.29D+00
                    CP:  1.25D+00  1.37D+00  1.39D+00
 E= -767.457516105452     Delta-E=       -0.000000009804 Rises=F Damp=F
 DIIS: error= 9.37D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.457516105452     IErMin= 9 ErrMin= 9.37D-07
 ErrMax= 9.37D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.98D-10 BMatP= 4.11D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.863D-04 0.152D-02 0.141D-02-0.487D-02-0.225D-01-0.535D-01
 Coeff-Com:  0.189D-01 0.382D+00 0.678D+00
 Coeff:     -0.863D-04 0.152D-02 0.141D-02-0.487D-02-0.225D-01-0.535D-01
 Coeff:      0.189D-01 0.382D+00 0.678D+00
 Gap=     0.300 Goal=   None    Shift=    0.000
 RMSDP=9.18D-07 MaxDP=7.89D-05 DE=-9.80D-09 OVMax= 1.76D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.93D-07    CP:  1.52D+00  1.14D+00  1.17D+00  1.39D+00  1.28D+00
                    CP:  1.24D+00  1.40D+00  1.42D+00  1.09D+00
 E= -767.457516106828     Delta-E=       -0.000000001376 Rises=F Damp=F
 DIIS: error= 2.88D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.457516106828     IErMin=10 ErrMin= 2.88D-07
 ErrMax= 2.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.82D-11 BMatP= 7.98D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.216D-05-0.174D-03 0.104D-03 0.284D-02 0.266D-02-0.983D-02
 Coeff-Com: -0.440D-01-0.304D-01 0.187D+00 0.892D+00
 Coeff:     -0.216D-05-0.174D-03 0.104D-03 0.284D-02 0.266D-02-0.983D-02
 Coeff:     -0.440D-01-0.304D-01 0.187D+00 0.892D+00
 Gap=     0.300 Goal=   None    Shift=    0.000
 RMSDP=8.75D-07 MaxDP=9.31D-05 DE=-1.38D-09 OVMax= 8.68D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.99D-07    CP:  1.52D+00  1.14D+00  1.17D+00  1.39D+00  1.28D+00
                    CP:  1.23D+00  1.39D+00  1.44D+00  1.11D+00  1.18D+00
 E= -767.457516106909     Delta-E=       -0.000000000080 Rises=F Damp=F
 DIIS: error= 7.75D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.457516106909     IErMin=11 ErrMin= 7.75D-08
 ErrMax= 7.75D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-11 BMatP= 6.82D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.107D-04-0.275D-03-0.145D-03 0.180D-02 0.402D-02 0.256D-02
 Coeff-Com: -0.203D-01-0.561D-01-0.115D-01 0.357D+00 0.723D+00
 Coeff:      0.107D-04-0.275D-03-0.145D-03 0.180D-02 0.402D-02 0.256D-02
 Coeff:     -0.203D-01-0.561D-01-0.115D-01 0.357D+00 0.723D+00
 Gap=     0.300 Goal=   None    Shift=    0.000
 RMSDP=2.13D-07 MaxDP=2.41D-05 DE=-8.03D-11 OVMax= 2.42D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.05D-08    CP:  1.52D+00  1.14D+00  1.17D+00  1.39D+00  1.28D+00
                    CP:  1.23D+00  1.39D+00  1.43D+00  1.12D+00  1.25D+00
                    CP:  1.04D+00
 E= -767.457516106986     Delta-E=       -0.000000000078 Rises=F Damp=F
 DIIS: error= 3.36D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -767.457516106986     IErMin=12 ErrMin= 3.36D-08
 ErrMax= 3.36D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-12 BMatP= 1.29D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.345D-05-0.591D-04-0.599D-04 0.126D-03 0.889D-03 0.227D-02
 Coeff-Com:  0.140D-03-0.119D-01-0.333D-01-0.105D-01 0.226D+00 0.827D+00
 Coeff:      0.345D-05-0.591D-04-0.599D-04 0.126D-03 0.889D-03 0.227D-02
 Coeff:      0.140D-03-0.119D-01-0.333D-01-0.105D-01 0.226D+00 0.827D+00
 Gap=     0.300 Goal=   None    Shift=    0.000
 RMSDP=4.57D-08 MaxDP=3.16D-06 DE=-7.75D-11 OVMax= 1.34D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.60D-08    CP:  1.52D+00  1.14D+00  1.17D+00  1.39D+00  1.28D+00
                    CP:  1.23D+00  1.39D+00  1.43D+00  1.10D+00  1.26D+00
                    CP:  1.11D+00  1.07D+00
 E= -767.457516106910     Delta-E=        0.000000000077 Rises=F Damp=F
 DIIS: error= 1.62D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -767.457516106986     IErMin=13 ErrMin= 1.62D-08
 ErrMax= 1.62D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.43D-13 BMatP= 1.46D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.648D-06 0.251D-04 0.688D-05-0.232D-03-0.331D-03 0.255D-03
 Coeff-Com:  0.275D-02 0.516D-02-0.849D-02-0.516D-01-0.569D-01 0.215D+00
 Coeff-Com:  0.895D+00
 Coeff:     -0.648D-06 0.251D-04 0.688D-05-0.232D-03-0.331D-03 0.255D-03
 Coeff:      0.275D-02 0.516D-02-0.849D-02-0.516D-01-0.569D-01 0.215D+00
 Coeff:      0.895D+00
 Gap=     0.300 Goal=   None    Shift=    0.000
 RMSDP=3.91D-08 MaxDP=3.92D-06 DE= 7.66D-11 OVMax= 7.77D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  1.00D-08    CP:  1.52D+00  1.14D+00  1.17D+00  1.39D+00  1.28D+00
                    CP:  1.23D+00  1.39D+00  1.42D+00  1.10D+00  1.25D+00
                    CP:  1.12D+00  1.14D+00  1.11D+00
 E= -767.457516107057     Delta-E=       -0.000000000148 Rises=F Damp=F
 DIIS: error= 1.08D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -767.457516107057     IErMin=14 ErrMin= 1.08D-08
 ErrMax= 1.08D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.35D-14 BMatP= 2.43D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.901D-06 0.205D-04 0.150D-04-0.113D-03-0.299D-03-0.358D-03
 Coeff-Com:  0.944D-03 0.427D-02 0.305D-02-0.157D-01-0.671D-01-0.890D-01
 Coeff-Com:  0.331D+00 0.833D+00
 Coeff:     -0.901D-06 0.205D-04 0.150D-04-0.113D-03-0.299D-03-0.358D-03
 Coeff:      0.944D-03 0.427D-02 0.305D-02-0.157D-01-0.671D-01-0.890D-01
 Coeff:      0.331D+00 0.833D+00
 Gap=     0.300 Goal=   None    Shift=    0.000
 RMSDP=1.42D-08 MaxDP=1.49D-06 DE=-1.48D-10 OVMax= 4.12D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  4.61D-09    CP:  1.52D+00  1.14D+00  1.17D+00  1.39D+00  1.28D+00
                    CP:  1.23D+00  1.39D+00  1.42D+00  1.10D+00  1.25D+00
                    CP:  1.12D+00  1.17D+00  1.25D+00  1.04D+00
 E= -767.457516106949     Delta-E=        0.000000000109 Rises=F Damp=F
 DIIS: error= 3.45D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=14 EnMin= -767.457516107057     IErMin=15 ErrMin= 3.45D-09
 ErrMax= 3.45D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.78D-15 BMatP= 6.35D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.443D-07-0.148D-05 0.167D-05 0.289D-04 0.125D-04-0.135D-03
 Coeff-Com: -0.424D-03-0.312D-03 0.256D-02 0.929D-02-0.106D-02-0.707D-01
 Coeff-Com: -0.128D+00 0.170D+00 0.102D+01
 Coeff:     -0.443D-07-0.148D-05 0.167D-05 0.289D-04 0.125D-04-0.135D-03
 Coeff:     -0.424D-03-0.312D-03 0.256D-02 0.929D-02-0.106D-02-0.707D-01
 Coeff:     -0.128D+00 0.170D+00 0.102D+01
 Gap=     0.300 Goal=   None    Shift=    0.000
 RMSDP=3.44D-09 MaxDP=1.57D-07 DE= 1.09D-10 OVMax= 2.06D-07

 SCF Done:  E(RwB97XD) =  -767.457516107     A.U. after   15 cycles
            NFock= 15  Conv=0.34D-08     -V/T= 2.0058
 KE= 7.630446716880D+02 PE=-4.060507785392D+03 EE= 1.393547219293D+03
 Leave Link  502 at Thu Aug 12 22:26:56 2021, MaxMem=  5368709120 cpu:            5944.6 elap:             745.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   513
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    513 NOA=    61 NOB=    61 NVA=   452 NVB=   452

 **** Warning!!: The largest alpha MO coefficient is  0.10529430D+03

 Leave Link  801 at Thu Aug 12 22:26:56 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.60D-13 8.33D-09 XBig12= 1.00D+00 4.94D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.60D-13 8.33D-09 XBig12= 2.26D-01 1.03D-01.
     11 vectors produced by pass  2 Test12= 4.60D-13 8.33D-09 XBig12= 6.01D-02 1.08D-01.
     11 vectors produced by pass  3 Test12= 4.60D-13 8.33D-09 XBig12= 7.56D-03 3.46D-02.
     11 vectors produced by pass  4 Test12= 4.60D-13 8.33D-09 XBig12= 1.81D-03 1.54D-02.
     11 vectors produced by pass  5 Test12= 4.60D-13 8.33D-09 XBig12= 3.30D-04 5.33D-03.
     11 vectors produced by pass  6 Test12= 4.60D-13 8.33D-09 XBig12= 2.47D-05 1.63D-03.
     11 vectors produced by pass  7 Test12= 4.60D-13 8.33D-09 XBig12= 1.40D-06 2.19D-04.
     11 vectors produced by pass  8 Test12= 4.60D-13 8.33D-09 XBig12= 8.19D-08 4.37D-05.
     11 vectors produced by pass  9 Test12= 4.60D-13 8.33D-09 XBig12= 2.83D-09 5.22D-06.
     11 vectors produced by pass 10 Test12= 4.60D-13 8.33D-09 XBig12= 9.92D-11 1.13D-06.
      8 vectors produced by pass 11 Test12= 4.60D-13 8.33D-09 XBig12= 3.26D-12 2.32D-07.
      6 vectors produced by pass 12 Test12= 4.60D-13 8.33D-09 XBig12= 1.19D-13 3.36D-08.
      1 vectors produced by pass 13 Test12= 4.60D-13 8.33D-09 XBig12= 7.21D-14 1.78D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   136 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.293839D+03
      2 -0.115655D+02  0.177482D+03
      3 -0.995775D+01 -0.821138D+01  0.122751D+03
 Isotropic polarizability for W=    0.088559      198.02 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.318044D+03 -0.943191D+02 -0.143100D+02
      2  -0.141528D+03  0.773637D+02 -0.133292D+02
      3  -0.176516D+03  0.169554D+02  0.276392D+02
      4  -0.171513D+02  0.125372D+03 -0.422480D+02
      5   0.484395D+02 -0.509463D+02 -0.551442D+02
      6  -0.240064D+02  0.411453D+02  0.263413D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.102953D+02  0.196925D+02 -0.160355D+02
      2  -0.245734D+02 -0.127292D+02 -0.259304D+02
      3   0.489758D+02 -0.609737D+02  0.205019D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.869828D+01  0.544745D+02 -0.938590D+01
      2  -0.627495D+02 -0.182416D+02  0.121372D+03
      3   0.771678D+02 -0.266900D+03  0.269398D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.171178D+01  0.185838D+00  0.237676D+00
      2   0.185838D+00  0.542893D+00  0.353508D+01
      3   0.237676D+00  0.353508D+01 -0.477728D+01
 OR G Eigenvalues:    -6.5434     1.6077     2.4130  Iso=     0.8409
 Eigenvectors:
   (1)  -0.015724  -0.446016   0.894887
   (2)   0.931681  -0.331403  -0.148802
   (3)   0.362936   0.831410   0.420756
 w=    0.088559 a.u., Optical Rotation Beta=      0.8409 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      185.17 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 2.71D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.22D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.66D-14 2.78D-09 XBig12= 1.00D+00 3.53D-01.
     30 vectors produced by pass  1 Test12= 7.66D-14 2.78D-09 XBig12= 4.87D-02 4.51D-02.
     30 vectors produced by pass  2 Test12= 7.66D-14 2.78D-09 XBig12= 6.88D-03 2.23D-02.
     30 vectors produced by pass  3 Test12= 7.66D-14 2.78D-09 XBig12= 1.31D-04 2.21D-03.
     30 vectors produced by pass  4 Test12= 7.66D-14 2.78D-09 XBig12= 4.48D-06 2.31D-04.
     30 vectors produced by pass  5 Test12= 7.66D-14 2.78D-09 XBig12= 1.09D-07 3.64D-05.
     30 vectors produced by pass  6 Test12= 7.66D-14 2.78D-09 XBig12= 1.85D-09 5.03D-06.
     30 vectors produced by pass  7 Test12= 7.66D-14 2.78D-09 XBig12= 2.95D-11 4.99D-07.
     30 vectors produced by pass  8 Test12= 7.66D-14 2.78D-09 XBig12= 3.78D-13 5.04D-08.
      5 vectors produced by pass  9 Test12= 7.66D-14 2.78D-09 XBig12= 1.60D-14 1.29D-08.
      3 vectors produced by pass 10 Test12= 7.66D-14 2.78D-09 XBig12= 5.92D-15 7.37D-09.
      1 vectors produced by pass 11 Test12= 7.66D-14 2.78D-09 XBig12= 1.86D-15 4.30D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.66D-15
 Solved reduced A of dimension   279 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 5.46D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 5.46D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.81D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.293839D+03 -0.115655D+02 -0.995775D+01
      2  -0.115655D+02  0.177482D+03 -0.821138D+01
      3  -0.995775D+01 -0.821138D+01  0.122751D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.102953D+02  0.196925D+02 -0.160355D+02
      2  -0.245734D+02 -0.127292D+02 -0.259304D+02
      3   0.489758D+02 -0.609737D+02  0.205019D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.318044D+03 -0.943191D+02 -0.143100D+02
      2  -0.141528D+03  0.773637D+02 -0.133292D+02
      3  -0.176516D+03  0.169554D+02  0.276392D+02
      4  -0.171513D+02  0.125372D+03 -0.422480D+02
      5   0.484395D+02 -0.509463D+02 -0.551442D+02
      6  -0.240064D+02  0.411453D+02  0.263413D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.356375D+02  0.728965D+01  0.640966D+00 -0.368796D+02  0.117825D+02
      2   0.728965D+01 -0.324676D+01  0.847900D-02  0.117825D+02 -0.109076D+02
      3   0.640966D+00  0.847900D-02  0.775162D-01  0.556571D-01  0.113619D+01
                 6             7             8             9            10 
      1   0.556571D-01  0.935281D+01 -0.291329D+01 -0.911536D+00  0.436043D+02
      2   0.113619D+01 -0.291329D+01  0.181360D+01 -0.135239D+01 -0.100804D+02
      3   0.389442D+00 -0.911536D+00 -0.135239D+01  0.577455D+00 -0.783599D+00
                11            12            13            14            15 
      1  -0.100804D+02 -0.783599D+00  0.343607D+02 -0.102505D+02  0.350637D-01
      2   0.693744D+01 -0.702613D+00 -0.102505D+02  0.881142D+01 -0.807120D+00
      3  -0.702613D+00 -0.367372D+00  0.350637D-01 -0.807120D+00 -0.313324D+00
                16            17            18            19            20 
      1  -0.902459D+01  0.286725D+01  0.151218D+01  0.323720D+02 -0.737297D+01
      2   0.286725D+01 -0.172657D+01  0.114359D+01 -0.737297D+01  0.498726D+01
      3   0.151218D+01  0.114359D+01 -0.383875D+00 -0.318609D+00 -0.606139D+00
                21            22            23            24            25 
      1  -0.318609D+00 -0.237919D+02  0.378324D+01 -0.819782D-01  0.287251D+01
      2  -0.606139D+00  0.378324D+01 -0.570247D+01 -0.684285D-01 -0.771878D+00
      3   0.463323D-01 -0.819782D-01 -0.684285D-01 -0.171580D+01 -0.107923D+01
                26            27            28            29            30 
      1  -0.771878D+00 -0.107923D+01 -0.434637D+02  0.600916D+01  0.466687D+00
      2  -0.351380D+00 -0.285961D+01  0.600916D+01 -0.315502D+01 -0.237862D+00
      3  -0.285961D+01  0.167694D+01  0.466687D+00 -0.237862D+00 -0.212292D+01
                31            32            33            34            35 
      1   0.123402D+02 -0.127218D+01 -0.155008D+01 -0.466897D+01 -0.892309D+00
      2  -0.127218D+01  0.988626D+01 -0.154316D+01 -0.892309D+00 -0.921660D+00
      3  -0.155008D+01 -0.154316D+01  0.264299D+00 -0.642723D+01  0.118331D+01
                36            37            38            39            40 
      1  -0.642723D+01 -0.232398D+01 -0.590135D+00  0.223742D+00  0.102314D+02
      2   0.118331D+01 -0.590135D+00 -0.103231D+02  0.167303D+01 -0.256036D+01
      3   0.220383D+00  0.223742D+00  0.167303D+01 -0.246696D+01 -0.438963D+00
                41            42            43            44            45 
      1  -0.256036D+01 -0.438963D+00 -0.213973D+01 -0.273236D+00 -0.480380D+01
      2  -0.143327D+01  0.134896D+01 -0.273236D+00  0.226818D+01  0.315319D+01
      3   0.134896D+01  0.149413D+01 -0.480380D+01  0.315319D+01 -0.769297D+00
                46            47            48            49            50 
      1   0.808262D+01 -0.187443D+01  0.649998D-01  0.578827D+00 -0.140237D+01
      2  -0.187443D+01  0.814211D+01 -0.578403D+00 -0.140237D+01  0.480889D+00
      3   0.649998D-01 -0.578403D+00  0.234446D+01  0.560672D+00  0.100038D+01
                51            52            53            54            55 
      1   0.560672D+00 -0.261136D+00  0.754931D+00  0.117664D+01 -0.135876D+02
      2   0.100038D+01  0.754931D+00  0.924043D+00  0.380760D+01  0.418288D+01
      3   0.993439D+00  0.117664D+01  0.380760D+01 -0.196918D+01 -0.126553D+00
                56            57            58            59            60 
      1   0.418288D+01 -0.126553D+00  0.378095D+01 -0.444754D+00 -0.665442D+00
      2  -0.109435D+02  0.110609D+01 -0.444754D+00  0.111760D+01 -0.111694D+01
      3   0.110609D+01 -0.242432D+01 -0.665442D+00 -0.111694D+01 -0.101275D+01
                61            62            63            64            65 
      1  -0.178876D+00 -0.806607D+00 -0.167768D+01 -0.243202D+01 -0.232174D+01
      2  -0.806607D+00 -0.769530D+00 -0.343137D+01 -0.232174D+01 -0.142905D+01
      3  -0.167768D+01 -0.343137D+01  0.202807D+01  0.548543D+00  0.326238D+00
                66            67            68            69            70 
      1   0.548543D+00 -0.316123D+01 -0.289442D+01  0.730902D+00  0.833715D+00
      2   0.326238D+00 -0.289442D+01 -0.497994D+01  0.999272D+00  0.682748D+00
      3  -0.437006D+00  0.730902D+00  0.999272D+00 -0.915629D+00 -0.235357D+00
                71            72            73            74            75 
      1   0.682748D+00 -0.235357D+00 -0.445660D+01  0.314159D+01 -0.238006D+00
      2   0.944814D+00 -0.325569D+00  0.314159D+01 -0.334023D+01  0.350088D+00
      3  -0.325569D+00  0.251923D+00 -0.238006D+00  0.350088D+00 -0.312863D+00
                76            77            78            79            80 
      1   0.341116D+01 -0.447938D+01  0.661691D+00 -0.256172D+00  0.705874D+00
      2  -0.447938D+01  0.764595D+01 -0.881902D+00  0.705874D+00 -0.109966D+01
      3   0.661691D+00 -0.881902D+00  0.796490D+00  0.415846D+00  0.241038D+00
                81            82            83            84            85 
      1   0.415846D+00  0.174668D+01  0.214536D+01 -0.482764D+00  0.111214D+01
      2   0.241038D+00  0.214536D+01  0.317299D+01 -0.659127D+00  0.251378D+01
      3  -0.208885D+00 -0.482764D+00 -0.659127D+00  0.433035D+00 -0.463491D+00
                86            87            88            89            90 
      1   0.251378D+01 -0.463491D+00 -0.319685D+00 -0.549926D+00  0.156000D+00
      2   0.872631D+01 -0.158785D+01 -0.549926D+00 -0.182154D+01  0.367338D+00
      3  -0.158785D+01  0.106285D+01  0.156000D+00  0.367338D+00 -0.235581D+00
                91            92            93            94            95 
      1   0.137559D+02 -0.166843D+01  0.259664D+00  0.398134D+01  0.958076D+00
      2  -0.166843D+01  0.139168D+01  0.731095D+00  0.958076D+00 -0.331913D+01
      3   0.259664D+00  0.731095D+00  0.308249D+01  0.349389D+00  0.191291D+01
                96            97            98            99           100 
      1   0.349389D+00 -0.261053D+01  0.118294D+01  0.773908D+01  0.842849D+01
      2   0.191291D+01  0.118294D+01  0.159149D+01  0.432998D-01 -0.659730D+00
      3   0.127743D+01  0.773908D+01  0.432998D-01 -0.190659D+01 -0.166860D+01
               101           102           103           104           105 
      1  -0.659730D+00 -0.166860D+01 -0.210371D+01 -0.171608D+01 -0.842689D-01
      2  -0.169255D+01 -0.500785D+00 -0.171608D+01  0.147701D+01 -0.344880D+01
      3  -0.500785D+00 -0.254527D+01 -0.842689D-01 -0.344880D+01 -0.153559D+01
               106           107           108           109           110 
      1   0.563589D+01 -0.869966D+00 -0.531824D+01  0.611279D+01  0.343113D+01
      2  -0.869966D+00 -0.234304D+01 -0.695300D+00  0.343113D+01  0.999537D+00
      3  -0.531824D+01 -0.695300D+00  0.301054D+01 -0.128461D+01 -0.378387D+00
               111           112           113           114           115 
      1  -0.128461D+01  0.653467D+00  0.127360D+01 -0.890845D+00 -0.709245D+01
      2  -0.378387D+00  0.127360D+01  0.468555D+00 -0.898058D+00 -0.119195D+01
      3  -0.136057D+01 -0.890845D+00 -0.898058D+00 -0.631253D+00 -0.380085D+01
               116           117           118           119           120 
      1  -0.119195D+01 -0.380085D+01 -0.424367D+00  0.200657D+01 -0.650037D+00
      2  -0.158793D+01 -0.802100D-01  0.200657D+01 -0.178491D+01  0.232723D-01
      3  -0.802100D-01  0.138087D+00 -0.650037D+00  0.232723D-01 -0.113954D+01
               121           122           123           124           125 
      1   0.422681D+01 -0.221802D+01  0.188922D+00 -0.120124D+01  0.126639D+00
      2  -0.221802D+01  0.580500D+01 -0.962080D+00  0.126639D+00 -0.124612D+01
      3   0.188922D+00 -0.962080D+00  0.137071D+01 -0.142352D+01  0.102453D+01
               126           127           128           129           130 
      1  -0.142352D+01  0.114106D+00 -0.608753D+00  0.185673D+00 -0.204806D+01
      2   0.102453D+01 -0.608753D+00  0.779313D+00 -0.279310D+00  0.880869D-01
      3  -0.384861D+00  0.185673D+00 -0.279310D+00  0.120730D+01  0.575190D+00
               131           132           133           134           135 
      1   0.880869D-01  0.575190D+00  0.313860D+00  0.923937D-01  0.228117D+00
      2  -0.398651D+01  0.218594D+01  0.923937D-01  0.155638D+01 -0.115655D+01
      3   0.218594D+01 -0.265233D+01  0.228117D+00 -0.115655D+01  0.172320D+01
               136           137           138           139           140 
      1  -0.149774D+02  0.785379D+00  0.363574D+01  0.422953D+00 -0.111523D+01
      2   0.785379D+00 -0.871792D+00 -0.305211D+00 -0.111523D+01  0.370532D-01
      3   0.363574D+01 -0.305211D+00 -0.245413D+01 -0.228969D+00  0.626737D+00
               141           142           143           144           145 
      1  -0.228969D+00  0.127085D+01  0.677916D-01 -0.119171D+01 -0.239582D-01
      2   0.626737D+00  0.677916D-01  0.924386D-01  0.606992D-01  0.780556D+00
      3   0.125492D+00 -0.119171D+01  0.606992D-01  0.278990D+00  0.704130D+00
               146           147           148           149           150 
      1   0.780556D+00  0.704130D+00  0.146594D+01  0.163210D+00 -0.263469D+00
      2   0.102339D+01  0.823080D+00  0.163210D+00  0.298224D+01  0.276023D+01
      3   0.823080D+00  0.197413D+01 -0.263469D+00  0.276023D+01  0.361087D+01
               151           152           153           154           155 
      1   0.353193D+00  0.630373D-01  0.254951D+00 -0.172880D+02 -0.455427D+01
      2   0.630373D-01  0.211885D+01  0.230011D+01 -0.455427D+01 -0.250538D+01
      3   0.254951D+00  0.230011D+01  0.435488D+01  0.484877D+00 -0.278306D+00
               156           157           158           159           160 
      1   0.484877D+00 -0.723803D+01 -0.528598D+01  0.327564D+00  0.863977D+00
      2  -0.278306D+00 -0.528598D+01 -0.391470D+01  0.353878D+00  0.427541D+00
      3  -0.236702D+01  0.327564D+00  0.353878D+00 -0.105288D+01 -0.228021D+01
               161           162           163           164           165 
      1   0.427541D+00 -0.228021D+01 -0.109883D+02 -0.262789D+01 -0.316665D+01
      2   0.102440D+01 -0.103397D+01 -0.262789D+01 -0.234045D+00  0.241069D-01
      3  -0.103397D+01  0.137867D+01 -0.316665D+01  0.241069D-01 -0.101607D+01
               166           167           168           169           170 
      1  -0.575174D+01 -0.728343D+00 -0.952274D+00  0.105387D-01  0.166741D+00
      2  -0.728343D+00 -0.813202D+00 -0.164890D+01  0.166741D+00 -0.407732D+00
      3  -0.952274D+00 -0.164890D+01 -0.188986D+01 -0.861116D+00 -0.109913D+01
               171           172           173           174           175 
      1  -0.861116D+00  0.102760D+02  0.228992D+01  0.149476D+01  0.696364D+01
      2  -0.109913D+01  0.228992D+01  0.623147D+00  0.395474D+00  0.931414D+00
      3  -0.710422D+01  0.149476D+01  0.395474D+00  0.270045D+01  0.138152D+01
               176           177           178           179           180 
      1   0.931414D+00  0.138152D+01  0.495692D+01  0.615953D+00  0.233773D+01
      2   0.375301D+00 -0.462495D+00  0.615953D+00 -0.976711D+00  0.601551D+00
      3  -0.462495D+00  0.146947D+01  0.233773D+01  0.601551D+00 -0.880418D+00
               181           182           183           184           185 
      1   0.115965D+02 -0.763458D+00 -0.212482D+00 -0.791080D+01  0.250067D+01
      2  -0.763458D+00  0.114729D+02 -0.196147D+01  0.250067D+01  0.327240D+01
      3  -0.212482D+00 -0.196147D+01  0.269639D+01  0.723212D+00 -0.177941D+01
               186           187           188           189           190 
      1   0.723212D+00  0.125740D+01  0.159326D+00  0.452496D+01  0.326350D+02
      2  -0.177941D+01  0.159326D+00 -0.272586D+01 -0.323300D+01 -0.571320D+01
      3  -0.141375D+01  0.452496D+01 -0.323300D+01  0.830043D+00 -0.265396D+00
               191           192           193           194           195 
      1  -0.571320D+01 -0.265396D+00 -0.200778D+02  0.162822D+01  0.212194D+01
      2   0.559441D+01 -0.717363D-01  0.162822D+01 -0.145788D+02  0.213189D+01
      3  -0.717363D-01  0.388850D+01  0.212194D+01  0.213189D+01 -0.158534D+01
               196           197           198           199           200 
      1   0.239879D+01  0.115240D+01  0.622832D+01 -0.357578D+02  0.880044D+01
      2   0.115240D+01  0.165332D+01 -0.213960D+01  0.880044D+01 -0.860175D+01
      3   0.622832D+01 -0.213960D+01 -0.179752D+00  0.647990D+00  0.136925D+01
               201           202           203           204           205 
      1   0.647990D+00  0.240351D+02 -0.308082D+01 -0.685655D+00 -0.187142D+01
      2   0.136925D+01 -0.308082D+01  0.747522D+01 -0.338650D-01  0.311499D+00
      3  -0.954810D-01 -0.685655D+00 -0.338650D-01  0.264345D+01  0.513918D+00
               206           207           208           209           210 
      1   0.311499D+00  0.513918D+00 -0.678001D+01 -0.713488D-01  0.352633D+00
      2   0.546937D+00  0.345876D+01 -0.713488D-01 -0.231947D+01  0.301508D+00
      3   0.345876D+01 -0.187231D+01  0.352633D+00  0.301508D+00 -0.639636D+00
               211           212           213           214           215 
      1  -0.667426D+00  0.161405D+01 -0.114292D+00  0.588476D+00 -0.283083D+00
      2   0.161405D+01 -0.203160D+01  0.387061D+00 -0.283083D+00  0.383409D+00
      3  -0.114292D+00  0.387061D+00  0.101529D+01  0.262125D+00 -0.496283D+00
               216           217           218           219           220 
      1   0.262125D+00 -0.183071D+01  0.233003D+01 -0.290017D+00  0.406852D+01
      2  -0.496283D+00  0.233003D+01  0.229235D+01 -0.642705D+00 -0.106193D+01
      3  -0.239940D-01 -0.290017D+00 -0.642705D+00  0.141599D+01 -0.737599D+00
               221           222           223           224           225 
      1  -0.106193D+01 -0.737599D+00 -0.783015D+00 -0.499509D+00 -0.117362D+01
      2   0.374327D+00 -0.182322D+01 -0.499509D+00 -0.170040D+01 -0.347687D+01
      3  -0.182322D+01 -0.540245D+01 -0.117362D+01 -0.347687D+01  0.251307D+01
               226           227           228           229           230 
      1  -0.137925D+01 -0.175432D+01  0.417581D+00 -0.634192D+00 -0.202085D+01
      2  -0.175432D+01 -0.322389D+01  0.656783D+00 -0.202085D+01 -0.842065D+01
      3   0.417581D+00  0.656783D+00 -0.442577D+00  0.408139D+00  0.152098D+01
               231           232           233           234           235 
      1   0.408139D+00  0.248229D+00  0.511687D+00  0.137570D+00  0.477070D+01
      2   0.152098D+01  0.511687D+00  0.166678D+01 -0.495311D+00 -0.379380D+01
      3  -0.107913D+01  0.137570D+00 -0.495311D+00  0.267050D+00  0.381968D+00
               236           237           238           239           240 
      1  -0.379380D+01  0.381968D+00 -0.434832D+01  0.522975D+01 -0.790919D+00
      2   0.398115D+01 -0.406085D+00  0.522975D+01 -0.796571D+01  0.934351D+00
      3  -0.406085D+00  0.512408D+00 -0.790919D+00  0.934351D+00 -0.897577D+00
               241           242           243           244           245 
      1   0.392837D+00 -0.740389D+00 -0.311946D+00  0.314099D+01  0.255252D+01
      2  -0.740389D+00  0.109018D+01 -0.261030D+00  0.255252D+01  0.139346D+01
      3  -0.311946D+00 -0.261030D+00  0.232403D+00 -0.649284D+00 -0.396712D+00
               246           247           248           249           250 
      1  -0.649284D+00  0.374856D+01  0.298751D+01 -0.752245D+00 -0.882147D+00
      2  -0.396712D+00  0.298751D+01  0.509606D+01 -0.105427D+01 -0.719271D+00
      3   0.279745D+00 -0.752245D+00 -0.105427D+01  0.737565D+00  0.209641D+00
               251           252           253           254           255 
      1  -0.719271D+00  0.209641D+00 -0.720580D+00 -0.367035D+00 -0.498463D+00
      2  -0.105971D+01  0.902401D-01 -0.367035D+00 -0.165010D+00  0.892030D-01
      3   0.902401D-01 -0.949404D-01 -0.498463D+00  0.892030D-01 -0.105694D+01
               256           257           258           259           260 
      1   0.554839D+00  0.122801D+01 -0.851465D+00 -0.355285D+01 -0.124676D+01
      2   0.122801D+01  0.136026D+01 -0.142071D+01 -0.124676D+01 -0.140092D+01
      3  -0.851465D+00 -0.142071D+01  0.247381D+01  0.262087D+01  0.216266D+01
               261           262           263           264           265 
      1   0.262087D+01  0.154157D+02 -0.103046D+01 -0.690536D+00 -0.348363D+01
      2   0.216266D+01 -0.103046D+01  0.980857D+00  0.114424D+00  0.141208D+01
      3  -0.637978D+01 -0.690536D+00  0.114424D+00  0.115087D+01  0.238336D+00
               266           267           268           269           270 
      1   0.141208D+01  0.238336D+00 -0.252741D+00  0.965211D-01  0.144158D+01
      2  -0.732599D+00  0.533570D-01  0.965211D-01  0.141128D+00  0.163189D+00
      3   0.533570D-01 -0.174680D+00  0.144158D+01  0.163189D+00 -0.323637D+00
               271           272           273           274           275 
      1   0.200422D-01  0.107189D+00  0.815650D+00  0.215988D+01  0.243708D+01
      2   0.107189D+00  0.643761D-01  0.127231D-01  0.243708D+01  0.339435D+01
      3   0.815650D+00  0.127231D-01 -0.560962D+00  0.119376D+01  0.218507D+01
               276           277           278           279 
      1   0.119376D+01  0.374555D+01  0.177291D+01  0.173652D+01
      2   0.218507D+01  0.177291D+01  0.232282D+01  0.233508D+01
      3   0.254760D+01  0.173652D+01  0.233508D+01  0.323564D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.327854D+01  0.183201D+01 -0.130777D+01  0.347176D+01 -0.197760D+01
      2   0.732979D+01  0.338646D+01 -0.970121D+00  0.772321D+01 -0.517864D+01
      3   0.929849D+01  0.222880D+02 -0.488092D+01  0.247429D+02 -0.237600D+02
                 6             7             8             9            10 
      1   0.249642D+00 -0.575932D+01  0.859308D+01 -0.136800D+01 -0.551208D+00
      2   0.258562D+01 -0.200189D+02  0.390092D+01  0.132221D+00 -0.445913D+01
      3   0.265307D+01 -0.125470D+01  0.189979D+01  0.354139D+00  0.306954D+02
                11            12            13            14            15 
      1   0.309232D+01 -0.120339D+01 -0.110005D+01  0.937975D+00  0.118657D+01
      2   0.446126D+01 -0.652025D+01 -0.181006D+00 -0.394467D+01  0.458769D+00
      3   0.192405D+02 -0.449300D+01  0.502498D+02 -0.329883D+02  0.316848D+01
                16            17            18            19            20 
      1  -0.586314D+01  0.861386D+01 -0.138559D+01 -0.398123D+01 -0.449237D+00
      2  -0.194114D+02  0.368017D+01  0.794878D+00 -0.840184D+01 -0.273484D+01
      3  -0.730902D+01  0.363318D+01 -0.129399D+00 -0.542373D+01 -0.234586D+02
                21            22            23            24            25 
      1   0.580438D+00 -0.139739D+00  0.170998D-01 -0.149423D+01 -0.757450D+01
      2   0.100741D+01  0.153578D+01  0.180962D+01  0.104565D+01 -0.173019D+02
      3   0.496064D+01 -0.335842D+01  0.531339D+01 -0.185258D+01  0.570281D+01
                26            27            28            29            30 
      1   0.429396D+01 -0.110770D+01  0.699426D+00  0.141046D+01  0.500529D+00
      2   0.788245D+01 -0.102494D+01  0.538497D+01  0.147469D+01  0.883367D+00
      3  -0.217002D+01 -0.100928D+01 -0.207466D+02  0.104261D+02 -0.131812D+01
                31            32            33            34            35 
      1   0.468398D+01  0.374338D+01  0.116441D+01  0.393662D+01  0.124559D+02
      2   0.181178D+00  0.267729D+00  0.584659D+00 -0.121045D+02  0.762363D+00
      3   0.272297D+02 -0.178186D+01 -0.163845D+01 -0.218718D+01 -0.248529D+01
                36            37            38            39            40 
      1  -0.193882D+01  0.362870D+00 -0.887113D-01  0.647812D+01  0.145486D+01
      2   0.107645D+01 -0.263551D+01 -0.764166D+00  0.795117D+00 -0.252264D+01
      3  -0.244180D+01 -0.888194D+01 -0.224424D+01 -0.107077D+00  0.123589D+02
                41            42            43            44            45 
      1  -0.949645D+00 -0.289308D+01  0.160077D+02  0.140423D+01 -0.500600D+00
      2  -0.294498D+01 -0.182451D+01 -0.103027D+02 -0.656147D+01  0.233887D+01
      3  -0.641356D+01  0.262503D+00 -0.289774D+01  0.145598D+01 -0.500055D+01
                46            47            48            49            50 
      1  -0.995690D+00 -0.202129D+01 -0.610245D+01 -0.228325D+01  0.645116D+00
      2   0.247678D+01 -0.336578D+01  0.190164D+01 -0.447006D+01  0.509050D+01
      3   0.215075D+02 -0.229481D+02  0.372571D+01 -0.593455D+01  0.236434D+02
                51            52            53            54            55 
      1  -0.288008D+01 -0.108527D+02 -0.216363D+01  0.311069D+01  0.143648D+01
      2  -0.951961D+00 -0.150544D+02  0.175798D+01  0.135288D+01  0.582609D+01
      3  -0.289002D+01  0.340358D+01 -0.231020D+01  0.525758D+01  0.309158D+02
                56            57            58            59            60 
      1  -0.396127D+01 -0.628665D+01 -0.233023D+01  0.126243D+01 -0.232218D+01
      2  -0.364374D+01 -0.462357D+01 -0.537579D+01  0.377460D+01 -0.207365D+01
      3  -0.100947D+02  0.229161D+01 -0.494579D+01  0.242548D+02 -0.145660D+01
                61            62            63            64            65 
      1  -0.110816D+02 -0.144625D+01  0.222717D+01 -0.254564D+00 -0.548275D+00
      2  -0.203041D+02 -0.195742D+01  0.522705D+01  0.111123D+01  0.721892D+00
      3   0.448968D+01 -0.120305D+01  0.124721D+02  0.179084D+01 -0.356526D+00
                66            67            68            69            70 
      1  -0.160946D+01 -0.766128D+00 -0.148092D+01 -0.280656D+01 -0.845140D+00
      2   0.609312D+00  0.108965D+01 -0.258974D-01  0.186062D+01 -0.251824D+01
      3   0.996222D-02  0.339451D+01 -0.520196D+01  0.838470D+00 -0.257383D+00
                71            72            73            74            75 
      1   0.223817D+01  0.358296D+00 -0.239821D+00  0.171268D+00  0.207887D+01
      2  -0.691272D+00 -0.258664D-01 -0.710882D+00 -0.144412D+00  0.137643D+01
      3   0.877519D+00  0.512190D+00 -0.810452D+01  0.139882D+01 -0.635650D-02
                76            77            78            79            80 
      1  -0.109058D+01  0.819678D+00 -0.400500D+01 -0.285405D+01  0.172842D+01
      2  -0.436735D+00  0.700651D+00 -0.236571D+01 -0.185990D+01  0.372215D-01
      3   0.402765D+01  0.152175D+01  0.358771D+00  0.397698D+00 -0.439175D+00
                81            82            83            84            85 
      1   0.504919D+00  0.793398D+00  0.547204D+00 -0.199535D+01  0.707187D+00
      2   0.501932D+00  0.952293D+00  0.418602D+00  0.101113D+01  0.703013D+00
      3   0.104078D+01  0.700505D+01  0.290587D+01 -0.113507D+01  0.546403D+01
                86            87            88            89            90 
      1   0.134849D+01 -0.457995D+01  0.108618D+01  0.207456D+01  0.406579D+00
      2   0.669091D+00  0.141308D+01 -0.120091D+01  0.600380D+00 -0.626535D+00
      3   0.358980D+01 -0.118337D+01 -0.120277D+01 -0.136647D+01 -0.628542D+00
                91            92            93            94            95 
      1   0.274729D+01  0.904220D+00 -0.183735D+01  0.498456D+01 -0.608716D+00
      2  -0.636399D+01 -0.192362D+01 -0.699003D+01 -0.236426D+01 -0.859222D+01
      3   0.105188D+02 -0.208832D+00  0.241284D+01  0.196846D+02 -0.176773D+02
                96            97            98            99           100 
      1  -0.233332D+01 -0.270896D+01  0.495506D+01  0.140223D+01  0.127066D+01
      2  -0.291335D+01 -0.331488D+02 -0.345100D+00  0.452763D+01 -0.119587D+02
      3   0.788269D+01  0.257923D+00  0.104319D+02  0.808324D+01  0.601523D+00
               101           102           103           104           105 
      1  -0.612116D+01  0.583086D+00 -0.280567D+01  0.433141D+01 -0.110706D+02
      2   0.207865D+01  0.175266D+02 -0.453895D+00  0.183944D+02  0.630322D+01
      3  -0.136226D+02 -0.103859D+01 -0.869188D+01  0.843032D+01 -0.151412D+02
               106           107           108           109           110 
      1   0.309377D+01 -0.572143D+01 -0.534626D+01 -0.374109D+01  0.129571D+01
      2   0.169087D+02  0.285936D+01 -0.523135D+01  0.123551D+02  0.490328D+01
      3   0.529142D+01 -0.141950D+02 -0.744539D+01 -0.596692D+01  0.886765D+01
               111           112           113           114           115 
      1   0.953415D+01 -0.933521D+01 -0.688868D+01 -0.832033D+01  0.878021D+01
      2   0.400491D+01  0.667840D+01  0.399192D+01 -0.832093D+01  0.697079D+01
      3  -0.716992D+01  0.908535D+01  0.162922D+02 -0.230487D+01 -0.137146D+02
               116           117           118           119           120 
      1  -0.656242D-01  0.601880D+01  0.117760D+01 -0.953621D+00  0.105997D+01
      2  -0.220848D+01  0.231382D+01  0.275185D+01 -0.949746D+00  0.494087D+01
      3  -0.651755D+01 -0.420481D+01  0.885825D+01 -0.622822D+01 -0.216673D+00
               121           122           123           124           125 
      1  -0.122444D+01  0.230152D+01 -0.308963D+01  0.895828D+00 -0.303145D+00
      2  -0.156274D+01  0.459746D+01 -0.510311D+01  0.287380D+01 -0.334939D+01
      3  -0.765987D+00  0.203276D+02 -0.371884D+01 -0.110268D+01 -0.498737D+01
               126           127           128           129           130 
      1   0.601067D+00 -0.244273D+01  0.278655D+01 -0.479564D+00  0.113230D+01
      2   0.170933D+01 -0.285495D+01  0.291220D+01 -0.442717D+01  0.289960D+01
      3   0.228483D+01 -0.462645D+01  0.394017D+01 -0.128936D+01  0.356865D+01
               131           132           133           134           135 
      1  -0.108381D+02  0.334398D+01 -0.284658D-03  0.502828D+01 -0.255697D+01
      2  -0.994744D+01  0.917898D+01 -0.220880D+01  0.429408D+01 -0.690920D+01
      3  -0.168729D+02  0.903838D+01  0.351591D+00  0.588130D+01 -0.474603D+01
               136           137           138           139           140 
      1  -0.139426D+01 -0.267283D+01  0.792394D+00 -0.211060D+01 -0.796442D+00
      2   0.110705D+02  0.162183D-01  0.773786D+01  0.189396D+00 -0.701816D+00
      3  -0.449743D+01 -0.629762D+01  0.607879D+00 -0.327502D+01 -0.849008D+00
               141           142           143           144           145 
      1   0.241335D+00 -0.577626D-01  0.132855D+01 -0.758819D-01  0.171292D+01
      2   0.102064D+00  0.124304D+01  0.542325D+00  0.119961D+01 -0.485507D+01
      3   0.217942D+01 -0.581146D+00  0.253711D+01 -0.708695D+00  0.351967D+01
               146           147           148           149           150 
      1   0.312640D+01  0.213881D+00  0.177659D+01  0.586560D+01  0.220445D+01
      2  -0.464936D+01 -0.825734D+01 -0.303453D+01 -0.116155D+02 -0.133175D+02
      3   0.447530D+01  0.316050D+01  0.376132D+01  0.108473D+02  0.984536D+01
               151           152           153           154           155 
      1  -0.108545D+00  0.515749D+01  0.234877D+01  0.373050D+01  0.744890D+00
      2  -0.444777D+01 -0.930549D+01 -0.166361D+02 -0.111128D+02 -0.149760D+01
      3   0.295157D+00  0.773174D+01  0.863246D+01 -0.857338D+01 -0.207489D+02
               156           157           158           159           160 
      1  -0.585329D+01  0.671489D+01  0.440100D+01 -0.319705D+01 -0.330345D+01
      2   0.192173D+02 -0.134496D+01 -0.448224D+01  0.105611D+02  0.614161D+01
      3  -0.144723D+00 -0.175002D+02 -0.227435D+02  0.632268D+00  0.321970D+01
               161           162           163           164           165 
      1   0.145084D+01  0.131668D+01  0.545514D+01  0.241901D+01 -0.266625D+01
      2   0.358662D+01 -0.858128D+01 -0.112511D+02 -0.485827D+01  0.211084D+01
      3   0.413524D+01 -0.268445D+01 -0.748923D+01 -0.372737D+01  0.110285D+01
               166           167           168           169           170 
      1   0.740141D+01  0.433488D+01  0.232379D+01 -0.829341D+00  0.717564D+01
      2  -0.876254D+01  0.486685D+01  0.766383D+01 -0.323321D+01  0.338241D+01
      3  -0.315971D+00 -0.443634D+01 -0.873163D+01  0.417611D+01 -0.225473D+01
               171           172           173           174           175 
      1  -0.277759D+01 -0.731931D+01 -0.320631D+01  0.305614D+00 -0.859140D+01
      2   0.232905D+02  0.206727D+02  0.364632D+01 -0.688532D+01  0.804166D+01
      3  -0.367781D+01  0.281597D+01  0.247680D+01  0.208364D+01  0.828828D+01
               176           177           178           179           180 
      1  -0.270915D+01 -0.182205D+01 -0.237346D+00 -0.110984D+00 -0.870582D+00
      2   0.351787D+01 -0.396769D+01 -0.338255D+01 -0.111690D+01  0.486846D+01
      3   0.104842D+01  0.569575D+00  0.222391D+01  0.809615D+00  0.106540D+01
               181           182           183           184           185 
      1  -0.377574D+00  0.239890D+01  0.652393D+01  0.271550D+01 -0.103687D+01
      2  -0.673463D+01 -0.241926D+01  0.751877D+01 -0.907326D+00 -0.792751D+01
      3  -0.284855D+02 -0.161759D+02  0.303764D+01 -0.927396D+01 -0.257896D+02
               186           187           188           189           190 
      1  -0.278717D+01  0.151196D+02  0.309066D+01 -0.233875D+01 -0.111472D+01
      2  -0.253058D+01 -0.195406D+01 -0.106205D+02  0.146621D+01 -0.402050D+01
      3   0.600414D+01  0.278966D+01  0.766863D+01 -0.212927D+01  0.876565D+01
               191           192           193           194           195 
      1   0.327476D+01 -0.416532D+00  0.295389D+01  0.218894D+01  0.385841D+01
      2   0.472749D+01  0.200357D+01  0.116828D+02  0.226371D+01 -0.356758D+01
      3   0.202281D+02 -0.442481D+01  0.438114D+02  0.209397D+02 -0.564972D+01
               196           197           198           199           200 
      1  -0.285471D+01  0.139781D+02 -0.326889D+01 -0.186492D+00 -0.212294D+01
      2  -0.542399D-01 -0.555550D+01  0.944714D+00  0.884297D+00 -0.182886D+01
      3  -0.819188D+01 -0.459275D+01  0.565088D+01 -0.256288D+02 -0.111732D+02
               201           202           203           204           205 
      1   0.342886D+00 -0.187852D+01  0.121730D+01 -0.384360D+01 -0.421611D+01
      2   0.402501D+01 -0.711348D+01  0.417304D+01  0.580290D+01 -0.161701D+02
      3   0.256381D+01 -0.761847D+00 -0.184633D+01 -0.191001D+01  0.465287D+01
               206           207           208           209           210 
      1   0.399486D+01  0.338863D+00  0.119819D+01 -0.293161D+01  0.741812D+00
      2   0.146910D+02 -0.454775D+01  0.367764D+01 -0.507358D+01  0.112412D+02
      3  -0.328533D+01 -0.703182D+01  0.106922D+02 -0.379924D+02  0.433342D+01
               211           212           213           214           215 
      1   0.461134D+00 -0.887590D+00 -0.588162D+01  0.265878D+01 -0.108565D+01
      2  -0.202741D+00  0.258435D+01  0.663925D+01 -0.600778D+01 -0.319326D+01
      3   0.108378D+01  0.117420D+02 -0.294479D+01  0.719380D-01  0.143186D+01
               216           217           218           219           220 
      1   0.111711D+01 -0.142688D+01  0.402087D+00 -0.114844D+01  0.241794D+01
      2  -0.825485D+00 -0.626810D+01 -0.153533D+01  0.753994D+01 -0.376758D+01
      3   0.134551D+01 -0.346767D+02 -0.326002D+01  0.390058D+01  0.564396D+01
               221           222           223           224           225 
      1   0.361078D+01  0.587169D+01  0.100979D+02  0.658901D+01 -0.158547D+01
      2  -0.745145D+01 -0.333713D+02 -0.656559D+01 -0.211038D+02  0.158672D+02
      3   0.178050D+02  0.786567D+01  0.426214D+01  0.616953D+01  0.266784D+02
               226           227           228           229           230 
      1   0.247377D+00 -0.284807D+00 -0.192188D+01  0.301944D-01 -0.768776D+00
      2   0.197254D+01  0.179985D+01  0.364363D-01  0.142154D+01  0.362556D+01
      3   0.922067D+01  0.754182D+01 -0.203183D+01  0.710936D+01  0.176275D+02
               231           232           233           234           235 
      1  -0.415290D+01  0.129826D+01  0.210015D+01  0.349569D+00 -0.741787D+00
      2  -0.552661D+00 -0.481353D+00 -0.999460D+00 -0.773490D-01 -0.865456D+00
      3  -0.362143D+01 -0.204396D+01 -0.383889D+01  0.131598D+00 -0.258503D+00
               236           237           238           239           240 
      1   0.812649D+00  0.213122D+01 -0.207073D+00 -0.830479D+00 -0.374812D+01
      2  -0.961244D-02  0.251692D+01 -0.106776D+01  0.118683D+01 -0.374862D+01
      3  -0.569842D+01  0.551651D+00 -0.554483D+01  0.159070D+02 -0.134666D+01
               241           242           243           244           245 
      1  -0.294522D+01  0.154612D+01  0.542029D+00  0.273864D+00 -0.238797D-01
      2  -0.271794D+01 -0.878535D+00  0.115028D+01 -0.606788D+00 -0.811681D+00
      3   0.182333D+01 -0.214556D+01  0.157151D+01 -0.697695D+00 -0.248909D+01
               246           247           248           249           250 
      1  -0.104557D+01  0.202083D+00 -0.280071D+00 -0.273942D+01 -0.494626D+00
      2   0.101949D+01 -0.900879D+00 -0.281665D+01  0.275738D+01 -0.139071D+01
      3   0.468726D+00 -0.610847D+00 -0.133840D+02  0.241686D+01  0.567416D+00
               251           252           253           254           255 
      1   0.152248D+01  0.366534D+00 -0.174175D+00  0.651233D+00  0.146002D+01
      2  -0.832190D+00 -0.168945D-01 -0.532122D+01  0.835885D+00 -0.560160D+01
      3   0.286241D+01  0.404422D+00  0.902874D+00  0.284504D+01 -0.242902D+01
               256           257           258           259           260 
      1  -0.190503D+00 -0.325325D+00 -0.229631D+01 -0.212094D+01  0.151974D+01
      2  -0.353214D+01 -0.773266D+01  0.141687D+02  0.812260D+01  0.125316D+02
      3  -0.410179D+01 -0.119574D+02  0.953886D+01  0.425011D+01  0.108409D+02
               261           262           263           264           265 
      1   0.517827D+01  0.666027D+00 -0.593475D+00 -0.417010D+00 -0.540762D+00
      2  -0.350549D+02  0.106981D+01  0.857681D-01  0.907969D+01  0.345510D+00
      3  -0.167985D+02  0.144694D+02 -0.102211D+02 -0.878694D+00 -0.810066D+01
               266           267           268           269           270 
      1   0.122509D+00 -0.739515D+00 -0.110842D+01  0.125028D+00  0.154001D+00
      2   0.782979D+00 -0.119020D+01  0.669583D+01  0.991314D+00 -0.164531D+01
      3   0.526569D+01 -0.448371D+00 -0.870893D+00 -0.744142D+00 -0.112237D+01
               271           272           273           274           275 
      1  -0.108768D+00  0.109741D+00  0.964034D+00 -0.153390D+01 -0.266331D+01
      2   0.590496D+01  0.634868D+00 -0.245069D+01  0.550936D+01  0.110646D+02
      3  -0.173764D+01  0.157165D+01  0.458415D+00 -0.939847D+01 -0.246352D+02
               276           277           278           279 
      1  -0.481935D+01 -0.294171D+01 -0.132736D+01 -0.532618D+01
      2   0.146735D+02  0.595930D+01  0.129999D+02  0.174243D+02
      3  -0.133993D+02 -0.661313D+01 -0.158312D+02 -0.157263D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.745589D+02  0.418869D+02 -0.437507D+01 -0.732419D+02  0.448394D+01
      2   0.373171D+02 -0.280481D+02  0.366932D+01  0.378787D+02  0.566391D+01
      3   0.372418D+02 -0.138387D+02  0.705757D+00  0.353632D+02 -0.101478D+02
      4   0.237643D+02  0.993304D+01 -0.305234D+01  0.107394D+02 -0.207027D+02
      5  -0.774566D+01 -0.357233D+01 -0.132061D+00 -0.553118D+01  0.697683D+01
      6   0.301823D+01  0.154871D+01  0.241905D+01  0.424225D+01 -0.530033D+01
                 6             7             8             9            10 
      1   0.230124D+01  0.179397D+02 -0.514265D+01 -0.989247D+01  0.109614D+03
      2  -0.404234D+01 -0.792762D+01  0.207652D+01 -0.105648D+01 -0.510796D+02
      3   0.174109D+01 -0.100120D+02  0.306614D+01  0.109489D+02 -0.585347D+02
      4   0.381563D+01 -0.333209D+01  0.315487D+01 -0.595322D+00  0.101257D+02
      5   0.335478D+01  0.164532D+01 -0.123586D+01  0.188133D+00 -0.290979D-01
      6   0.173979D-03  0.175656D+01  0.413674D+01  0.103545D+01 -0.771754D+01
                11            12            13            14            15 
      1  -0.166652D+01 -0.818936D+01  0.592050D+02 -0.338358D+02  0.166637D+01
      2  -0.251859D+01  0.392008D+01 -0.220177D+02  0.240499D+02 -0.440383D+01
      3   0.418510D+01  0.426928D+01 -0.371873D+02  0.978592D+01  0.273746D+01
      4   0.130736D+02 -0.503170D+01 -0.305555D+02  0.161318D+02 -0.552024D+00
      5  -0.741597D+01 -0.108591D+02  0.966707D+01 -0.227300D+01 -0.440399D+00
      6   0.403065D+01  0.133448D+01 -0.379590D+01 -0.823699D+00 -0.219556D+01
                16            17            18            19            20 
      1  -0.180349D+02  0.566387D+01 -0.488022D+01  0.394535D+02 -0.473245D+02
      2   0.818608D+01 -0.367648D+01 -0.259049D+01 -0.191137D+02  0.344712D+02
      3   0.984886D+01 -0.198739D+01  0.747071D+01 -0.203398D+02  0.128533D+02
      4   0.620965D+01 -0.220753D+01  0.497837D+01 -0.264223D+02 -0.116368D+02
      5   0.126277D+01  0.419323D+01  0.486096D+00  0.103751D+02  0.410847D+01
      6   0.524230D+01  0.421625D+01  0.153988D+01 -0.267625D+01 -0.474950D+00
                21            22            23            24            25 
      1   0.612412D+01  0.872188D+01  0.318650D+02 -0.506910D+01 -0.405995D+01
      2  -0.468118D+01 -0.212911D+02 -0.315727D+02  0.662136D+01  0.665750D+01
      3  -0.144294D+01  0.125693D+02 -0.292338D+00 -0.155226D+01 -0.259755D+01
      4   0.325751D+01  0.162090D+02 -0.246380D+01  0.271390D+01 -0.103399D+01
      5  -0.247459D+01 -0.713343D+01  0.323774D+01  0.685508D+01  0.499085D+01
      6   0.693247D+00  0.919321D+01  0.534343D+01  0.215916D+01  0.275602D+01
                26            27            28            29            30 
      1  -0.138533D+01 -0.689413D+01  0.911750D+01 -0.666809D+00  0.301051D+01
      2   0.538962D+01 -0.677886D+01 -0.230336D+02 -0.232386D+01 -0.147782D+01
      3  -0.400429D+01  0.136730D+02  0.139161D+02  0.299067D+01 -0.153269D+01
      4   0.515134D+01  0.424111D+01 -0.948160D+00  0.135905D+02  0.323810D+00
      5   0.908044D+01 -0.234521D+01 -0.114507D+02  0.219229D+01  0.924347D+01
      6   0.456281D+01 -0.417489D+00  0.102900D+02 -0.150989D+01 -0.299608D+01
                31            32            33            34            35 
      1   0.149288D+02 -0.641318D+02  0.847271D+01 -0.178131D+01  0.104792D+02
      2  -0.483146D+01  0.602558D+02 -0.126145D+02 -0.221339D+01 -0.114477D+02
      3  -0.100973D+02  0.387600D+01  0.414183D+01  0.399470D+01  0.968445D+00
      4  -0.394060D+02 -0.109009D+02  0.474074D+01  0.147568D+02  0.305838D+01
      5   0.129373D+02  0.515410D+01 -0.746142D+00  0.320287D+02 -0.578716D+01
      6  -0.982206D+00 -0.570694D+01 -0.239500D+01 -0.631506D+01  0.616981D+01
                36            37            38            39            40 
      1  -0.149833D+00 -0.616178D+01  0.717945D+02 -0.135724D+02 -0.196341D+02
      2  -0.818475D+01 -0.432372D+00 -0.563055D+02  0.737625D+01  0.211761D+02
      3   0.833459D+01  0.659415D+01 -0.154891D+02  0.619611D+01 -0.154208D+01
      4  -0.243394D+00  0.206686D+02 -0.112076D+02 -0.770922D+00  0.193461D+02
      5   0.597702D+00 -0.365762D+01 -0.419107D+01  0.270938D+01  0.268250D+01
      6   0.526432D+01 -0.392894D+01  0.369225D+01 -0.127487D+02 -0.104685D+02
                41            42            43            44            45 
      1   0.254769D+02 -0.804709D+01  0.573600D+01 -0.138905D+02 -0.134799D+02
      2  -0.291115D+02  0.761992D+01 -0.942193D+01  0.154294D+02  0.332283D+01
      3   0.363459D+01  0.427173D+00  0.368593D+01 -0.153892D+01  0.101570D+02
      4   0.153577D+02 -0.719511D+01 -0.868970D+00 -0.523300D+01 -0.731919D+01
      5  -0.838718D+01 -0.685997D+01  0.183770D+02 -0.777133D+01  0.373737D+01
      6   0.885189D+01  0.600689D+01 -0.188685D+02  0.170516D+02  0.414477D+00
                46            47            48            49            50 
      1   0.595121D+01 -0.584043D+02  0.838782D+01  0.208861D+02  0.694684D+01
      2  -0.380127D+01  0.464240D+02 -0.331347D+01 -0.198289D+02 -0.118200D+02
      3  -0.214994D+01  0.119802D+02 -0.507434D+01 -0.105714D+01  0.487319D+01
      4  -0.173943D+02 -0.895988D+01  0.430952D+01  0.129659D+02 -0.949296D+01
      5   0.518448D+01  0.650752D+01 -0.104267D+00 -0.240885D+01  0.177795D+01
      6   0.408795D+01  0.543842D+00  0.112572D+02  0.312769D+01  0.106782D+02
                51            52            53            54            55 
      1  -0.708118D+01 -0.475375D+01 -0.225497D+01 -0.220305D+02 -0.277869D+02
      2   0.819054D+01  0.622499D+01  0.904329D+01  0.915139D+01  0.117509D+02
      3  -0.110936D+01 -0.147124D+01 -0.678832D+01  0.128791D+02  0.160360D+02
      4   0.305175D+01  0.117813D+01  0.604242D+01  0.621373D+01  0.335438D+01
      5   0.959167D+00  0.525903D+01  0.242818D+01  0.215683D+00 -0.245095D+01
      6   0.548837D+01  0.507458D+01  0.217099D+02 -0.549337D+01  0.348305D+01
                56            57            58            59            60 
      1  -0.431758D+02  0.730177D+01  0.122143D+02  0.159922D+02 -0.881009D+01
      2   0.367477D+02 -0.147300D+01 -0.115237D+02 -0.172170D+02  0.873453D+01
      3   0.642813D+01 -0.582877D+01 -0.690582D+00  0.122483D+01  0.755633D-01
      4  -0.494734D+02  0.774393D+01  0.132433D+02 -0.515073D+01 -0.748983D+00
      5   0.113227D+02 -0.115262D+02 -0.276793D+01 -0.224582D+01 -0.119176D+01
      6  -0.247056D+01  0.127582D+02  0.300099D+01  0.977823D+01  0.408165D+01
                61            62            63            64            65 
      1  -0.193705D+01 -0.520488D+01 -0.272874D+02  0.334278D+01 -0.125246D+01
      2   0.505894D+01  0.112462D+02  0.919143D+01 -0.420687D+00  0.258086D+01
      3  -0.312188D+01 -0.604128D+01  0.180960D+02 -0.292209D+01 -0.132840D+01
      4  -0.276483D+01  0.311716D+01 -0.550537D+01  0.930866D+01  0.101762D+02
      5  -0.213857D+01 -0.101079D+02  0.661733D+01 -0.268220D+01 -0.212398D+01
      6   0.635435D+01  0.186747D+02 -0.658076D+01 -0.173017D+01 -0.159950D+01
                66            67            68            69            70 
      1   0.272415D+00 -0.374807D+01 -0.138525D+02  0.315707D+01  0.162934D+00
      2   0.151884D+00  0.596522D+01  0.167518D+02 -0.146955D+01  0.283240D-01
      3  -0.424299D+00 -0.221715D+01 -0.289928D+01 -0.168752D+01 -0.191258D+00
      4  -0.163380D+01  0.135449D+02  0.180764D+02 -0.322644D+01 -0.274412D+01
      5   0.294604D+01 -0.338597D+01 -0.342637D+01  0.363399D+01  0.168424D+01
      6   0.145800D+01 -0.301976D+01 -0.591371D+01  0.506605D+01  0.216898D+01
                71            72            73            74            75 
      1   0.199798D+01 -0.270450D+01 -0.809439D+00  0.680108D+01 -0.817318D+00
      2  -0.193606D+01  0.216694D+01  0.100583D+02 -0.158534D+02  0.143186D+01
      3  -0.619238D-01  0.537560D+00 -0.924883D+01  0.905229D+01 -0.614541D+00
      4  -0.346076D+01  0.223263D+01 -0.216550D+02  0.218110D+02 -0.227372D+01
      5   0.775947D+00 -0.133081D+01  0.184874D+01 -0.231614D+01  0.302723D+01
      6   0.291616D+01 -0.201561D+01 -0.111899D+01  0.156623D+01 -0.275127D+01
                76            77            78            79            80 
      1   0.115201D+02 -0.280709D+02  0.340649D+01 -0.225304D+01  0.428476D+01
      2  -0.223183D+02  0.457627D+02 -0.425221D+01  0.410918D+01 -0.628706D+01
      3   0.107981D+02 -0.176919D+02  0.845725D+00 -0.185613D+01  0.200230D+01
      4   0.237695D+02 -0.325272D+02  0.366463D+01 -0.308341D+01  0.399653D+01
      5  -0.319909D+01  0.404431D+01 -0.361202D+01  0.235450D-01 -0.163148D+01
      6   0.361819D+01 -0.517353D+01  0.655285D+01  0.159669D+01  0.238693D+01
                81            82            83            84            85 
      1  -0.105364D+01 -0.550012D+01 -0.103785D+02  0.247474D+01 -0.953022D+01
      2   0.217942D+01  0.970245D+01  0.168870D+02 -0.274741D+01  0.137742D+02
      3  -0.112578D+01 -0.420233D+01 -0.650845D+01  0.272676D+00 -0.424397D+01
      4  -0.212849D+01  0.114898D+02  0.187316D+02 -0.334181D+01  0.125627D+02
      5   0.937638D+00 -0.133028D+01 -0.190501D+01  0.285993D+01 -0.138067D+01
      6  -0.173588D+01 -0.253798D+01 -0.400384D+01  0.335005D+01 -0.294870D+01
                86            87            88            89            90 
      1  -0.391921D+02  0.764858D+01  0.210124D+01  0.801241D+01 -0.184819D+01
      2   0.557310D+02 -0.850645D+01 -0.311162D+01 -0.104242D+02  0.230841D+01
      3  -0.165389D+02  0.857872D+00  0.101038D+01  0.241183D+01 -0.460218D+00
      4   0.263030D+02 -0.441792D+01 -0.314477D+01 -0.498753D+01  0.287022D+01
      5  -0.194957D+01  0.211371D+01  0.998724D+00  0.251902D+01 -0.133164D+01
      6  -0.106824D+02  0.856886D+01  0.609908D+00  0.399809D+01 -0.249964D+01
                91            92            93            94            95 
      1  -0.201641D+01  0.231632D+01 -0.138844D+02 -0.409156D+01 -0.259832D+01
      2   0.839862D+01  0.211786D+01  0.669458D+00  0.103424D+02 -0.989120D+01
      3  -0.638220D+01 -0.443418D+01  0.132149D+02 -0.625083D+01  0.124895D+02
      4  -0.355213D+01 -0.142545D+02 -0.353235D+01 -0.153994D+02  0.348975D+02
      5  -0.631965D+00 -0.455483D+01 -0.218254D+02  0.198172D+01 -0.137554D+02
      6  -0.372930D+01  0.169053D+01  0.109980D+01 -0.356641D+01  0.324868D+01
                96            97            98            99           100 
      1  -0.216582D+01  0.205051D+00 -0.417114D+01 -0.206301D+02 -0.729576D+02
      2   0.135400D+01 -0.134316D+02  0.854527D+01  0.206552D+02  0.404423D+02
      3   0.811821D+00  0.132265D+02 -0.437413D+01 -0.250509D-01  0.325152D+02
      4  -0.155962D+02 -0.634330D+01 -0.156663D+02 -0.432052D+01  0.116693D+02
      5  -0.608819D+01 -0.601750D+02  0.800455D+00  0.178732D+02  0.376354D+02
      6   0.394919D+01  0.257175D+01 -0.803376D+00 -0.138548D+01 -0.376965D+01
               101           102           103           104           105 
      1   0.771285D+01  0.283645D+02  0.406425D+01  0.300725D+02  0.860234D+01
      2  -0.347067D+01 -0.683108D+01 -0.551565D+01 -0.512152D+01  0.571577D+00
      3  -0.424217D+01 -0.215334D+02  0.145140D+01 -0.249510D+02 -0.917392D+01
      4   0.178572D+02  0.120755D+01  0.167813D+02 -0.149334D+02  0.232460D+02
      5   0.730287D+00  0.123386D+02 -0.219004D+00  0.153777D+02  0.780999D+01
      6  -0.114012D+02 -0.334090D+01 -0.659109D+01  0.403197D+01 -0.191894D+02
               106           107           108           109           110 
      1   0.358108D+01  0.821879D+01  0.203109D+02 -0.754397D+02 -0.240925D+02
      2   0.163848D+02 -0.321903D+01 -0.228285D+02  0.286270D+02  0.346494D+01
      3  -0.199659D+02 -0.499976D+01  0.251757D+01  0.468127D+02  0.206275D+02
      4   0.182678D+01  0.196783D+02  0.449822D+01 -0.408170D+02 -0.237559D+02
      5   0.394406D+02  0.181462D+01 -0.309039D+02  0.330164D+01 -0.103084D+01
      6  -0.357721D+01 -0.139530D+02 -0.701507D+01 -0.727003D+00  0.215724D+01
               111           112           113           114           115 
      1   0.289938D+01 -0.323060D+02 -0.146235D+02  0.893657D+01  0.328853D+02
      2  -0.251730D+01  0.702795D+01  0.514454D+01 -0.715591D+00 -0.148289D+02
      3  -0.382080D+00  0.252780D+02  0.947899D+01 -0.822098D+01 -0.180565D+02
      4   0.187517D+01 -0.108739D+02 -0.220794D+02  0.884599D+01  0.135569D+02
      5   0.288422D+00 -0.206367D+01  0.654276D+01 -0.347386D+01  0.225751D+02
      6  -0.384890D+01  0.310053D+01 -0.373060D+01  0.651265D+00  0.342312D+01
               116           117           118           119           120 
      1   0.624418D+01  0.226132D+02  0.704223D+01 -0.911518D+01  0.497587D+01
      2  -0.237949D+01 -0.297552D+01  0.285452D+01  0.124211D+00 -0.142583D+01
      3  -0.386469D+01 -0.196377D+02 -0.989675D+01  0.899097D+01 -0.355004D+01
      4   0.148349D+02  0.486684D+01 -0.199599D+02  0.203619D+02 -0.954298D+00
      5   0.309330D+01  0.194234D+01  0.569235D+01 -0.502628D+00  0.992961D+01
      6  -0.962980D+00 -0.131270D+01 -0.151539D+01  0.549825D+00 -0.939642D+00
               121           122           123           124           125 
      1  -0.167669D+02 -0.182043D+01 -0.365486D+00  0.650073D+01  0.176819D+01
      2   0.294946D+01  0.192435D+02 -0.299846D+01 -0.228463D+01 -0.466125D+01
      3   0.138174D+02 -0.174230D+02  0.336394D+01 -0.421609D+01  0.289305D+01
      4   0.229616D+02 -0.480180D+02  0.784830D+01 -0.286315D+01  0.110355D+02
      5  -0.191721D+01  0.711688D+01 -0.103375D+02  0.118538D+02 -0.768083D+01
      6   0.709573D+00 -0.265980D+01  0.449675D+01 -0.237805D+01  0.624783D+01
               126           127           128           129           130 
      1   0.246657D+01  0.653807D+00  0.626777D+01 -0.853327D+01  0.105181D+02
      2  -0.819168D+00 -0.275597D+00 -0.277244D+01  0.185521D+00 -0.690418D+01
      3  -0.164741D+01 -0.378209D+00 -0.349532D+01  0.834775D+01 -0.361387D+01
      4  -0.834139D+01  0.329760D+01 -0.488587D+01  0.161827D+01  0.111842D+01
      5   0.322839D+01 -0.136394D+01 -0.724098D+00 -0.448510D+01 -0.957386D+01
      6  -0.256689D+01 -0.297907D+01  0.471626D+01 -0.184064D+01  0.450742D+00
               131           132           133           134           135 
      1  -0.158249D+02  0.879030D+01 -0.381023D+01  0.511344D+01 -0.110942D+02
      2   0.573062D+01  0.373030D+01  0.105214D+01  0.170007D+01 -0.133594D+01
      3   0.100943D+02 -0.125206D+02  0.275809D+01 -0.681350D+01  0.124302D+02
      4   0.287060D+02 -0.155078D+02 -0.901803D+00 -0.107366D+02  0.800666D+01
      5  -0.116676D+02  0.167633D+02  0.199076D+01  0.642206D+01 -0.879491D+01
      6  -0.194341D+02  0.132624D+02  0.419142D+00  0.105931D+02 -0.682720D+01
               136           137           138           139           140 
      1   0.110147D+03 -0.599082D+01 -0.195593D+02 -0.404641D+01  0.598512D+01
      2  -0.657585D+02  0.268251D+01  0.184226D+02  0.111346D+01 -0.379550D+01
      3  -0.443887D+02  0.330831D+01  0.113677D+01  0.293295D+01 -0.218962D+01
      4  -0.133906D+02  0.123148D+02  0.376718D+01  0.139096D+02 -0.978344D+00
      5  -0.626939D+02  0.420278D+01  0.300843D+02  0.231346D+01 -0.640034D+01
      6   0.529986D+01 -0.434405D+01 -0.220594D+01 -0.417946D+01  0.212632D+00
               141           142           143           144           145 
      1  -0.471317D-01 -0.803386D+01 -0.112318D+01  0.812880D+01 -0.163980D+01
      2  -0.624332D-01  0.841937D+01  0.473501D-01 -0.679122D+01 -0.436057D+00
      3   0.109565D+00 -0.385513D+00  0.107583D+01 -0.133758D+01  0.207586D+01
      4  -0.519208D+01  0.164298D+00 -0.319020D+01 -0.719247D+00 -0.342983D+01
      5  -0.621984D+00  0.169761D+02 -0.773209D-01 -0.645567D+01 -0.242249D+01
      6   0.406534D+01 -0.722762D+00  0.267130D+01  0.110545D+01  0.427125D+01
               146           147           148           149           150 
      1  -0.101448D+02 -0.154430D+02 -0.905494D+01 -0.192161D+02 -0.172327D+02
      2   0.378562D+01  0.131037D+01  0.575832D+01  0.796473D+01 -0.256435D+00
      3   0.635918D+01  0.141326D+02  0.329662D+01  0.112514D+02  0.174891D+02
      4  -0.525741D+01 -0.330683D+01  0.226655D+01 -0.190188D+02 -0.181525D+02
      5  -0.946692D+00 -0.657466D+01  0.745263D+01 -0.143141D+02 -0.208509D+02
      6   0.700470D+01  0.632008D+01  0.372777D+00  0.182291D+02  0.192786D+02
               151           152           153           154           155 
      1  -0.647430D+01 -0.126840D+02 -0.244813D+02  0.166129D+03  0.356785D+02
      2   0.258983D+01  0.284411D-01 -0.351736D+01 -0.737974D+02 -0.100835D+02
      3   0.388447D+01  0.126556D+02  0.279987D+02 -0.923320D+02 -0.255950D+02
      4   0.183003D+01 -0.139544D+02 -0.145341D+02  0.606837D+02  0.427672D+02
      5   0.425432D+01 -0.125857D+02 -0.229017D+02  0.112288D+02  0.446321D+01
      6   0.438381D+00  0.151768D+02  0.176249D+02  0.206352D+00  0.964611D+00
               156           157           158           159           160 
      1  -0.527945D+01  0.478247D+02  0.334607D+02 -0.403608D+01 -0.852710D+01
      2  -0.132366D+01 -0.107102D+02 -0.224989D+01 -0.643174D+00  0.421869D+00
      3   0.660311D+01 -0.371146D+02 -0.312108D+02  0.467926D+01  0.810523D+01
      4   0.870097D+00  0.603649D+02  0.507328D+02 -0.494817D+01 -0.529518D+01
      5   0.302968D+02  0.150430D+01 -0.223660D+00  0.139026D+02  0.297344D+02
      6   0.540880D+01  0.355295D+01  0.332198D+01  0.632381D+01  0.664010D+01
               161           162           163           164           165 
      1  -0.315298D+01  0.179101D+02  0.427648D+02  0.134398D+02  0.115273D+02
      2  -0.104707D+01 -0.101861D+02 -0.276648D+02 -0.493230D+01 -0.872489D+01
      3   0.420005D+01 -0.772399D+01 -0.151001D+02 -0.850749D+01 -0.280237D+01
      4  -0.922519D+01  0.113320D+02  0.229245D+02  0.110385D+02  0.191840D+01
      5   0.103647D+02 -0.812844D+01  0.267259D+02  0.342249D+01  0.172987D+02
      6   0.529002D+01 -0.417042D+00  0.974470D+01  0.173245D+01  0.747803D+00
               166           167           168           169           170 
      1   0.186390D+02 -0.524755D+01 -0.828282D+01 -0.670593D+01 -0.683816D+01
      2  -0.955445D+01  0.258576D+01  0.143827D+01 -0.185678D+01  0.193676D+01
      3  -0.908452D+01  0.266180D+01  0.684456D+01  0.856271D+01  0.490140D+01
      4   0.117357D+02  0.727686D+01  0.112569D+02 -0.307750D+01  0.268096D+01
      5   0.111734D+02  0.120647D+02  0.107616D+02  0.155083D+02  0.413137D+01
      6   0.275819D+01  0.677810D+01  0.118897D+02  0.192957D+00  0.990349D+01
               171           172           173           174           175 
      1  -0.283333D+02 -0.441179D+02 -0.846453D+01  0.842261D+01 -0.199590D+02
      2  -0.154196D+02  0.246218D+02  0.379196D+01  0.395865D+01  0.131759D+02
      3   0.437529D+02  0.194961D+02  0.467257D+01 -0.123813D+02  0.678315D+01
      4   0.259986D+01 -0.197324D+02 -0.799948D+01 -0.194175D+01 -0.102858D+02
      5   0.455345D+02 -0.207497D+02 -0.471167D+01 -0.141822D+02 -0.119485D+02
      6   0.824225D+01 -0.781929D+01 -0.433446D+01 -0.257480D+01 -0.409541D+01
               176           177           178           179           180 
      1  -0.865515D+01  0.193286D+01 -0.319538D+01  0.814838D+00 -0.115067D+02
      2   0.468787D+01  0.333142D+01  0.901639D+01  0.620295D+00  0.402812D+01
      3   0.396728D+01 -0.526429D+01 -0.582101D+01 -0.143513D+01  0.747856D+01
      4  -0.418882D+01  0.122987D+01 -0.564723D+01 -0.360474D+00 -0.423742D+01
      5   0.235026D+00 -0.877802D+01 -0.102143D+02 -0.199232D+01 -0.675358D+00
      6  -0.251943D+01  0.192057D+01 -0.287479D+01  0.147627D+01 -0.246637D+01
               181           182           183           184           185 
      1   0.396392D+02  0.584985D+02 -0.125376D+02 -0.371358D+02  0.236067D+02
      2  -0.258269D+02 -0.444010D+02  0.453831D+01  0.249378D+02 -0.246341D+02
      3  -0.138124D+02 -0.140975D+02  0.799929D+01  0.121980D+02  0.102748D+01
      4   0.132272D+02  0.319438D+02 -0.696164D+01  0.166979D+02  0.251741D+02
      5   0.360423D+00 -0.100161D+02  0.152095D+02  0.230166D+01 -0.109274D+02
      6  -0.173173D+01  0.710485D+01 -0.135368D+02 -0.667511D+01  0.929900D+01
               186           187           188           189           190 
      1  -0.315326D+01  0.683741D+01 -0.105728D+02  0.479611D+00  0.109909D+03
      2   0.493546D+01 -0.128051D+02  0.146617D+02 -0.518605D+01 -0.611002D+02
      3  -0.178220D+01  0.596773D+01 -0.408893D+01  0.470644D+01 -0.488092D+02
      4  -0.112126D+02 -0.206076D+01 -0.132266D+02 -0.200321D+02 -0.145188D+02
      5  -0.740957D+01  0.299370D+02 -0.181795D+02  0.834852D+01  0.626775D+01
      6   0.505863D+01 -0.221287D+02  0.166659D+02 -0.100702D+00  0.221744D-01
               191           192           193           194           195 
      1  -0.267342D+02 -0.369046D+00 -0.819794D+02 -0.390953D+02  0.161232D+02
      2   0.958424D+01 -0.100500D+01  0.449690D+02  0.433267D+02 -0.169421D+02
      3   0.171500D+02  0.137405D+01  0.370103D+02 -0.423144D+01  0.818853D+00
      4   0.124659D+02 -0.689574D+00 -0.409144D+02 -0.545525D+02  0.102780D+02
      5  -0.747549D+00  0.729142D+01  0.175677D+02  0.951284D+01 -0.741068D+01
      6   0.260967D+01 -0.224308D+01  0.161549D+01 -0.115558D+02 -0.436762D+01
               196           197           198           199           200 
      1   0.143182D+02  0.116742D+02  0.194234D+02 -0.113812D+03 -0.617089D+01
      2  -0.871924D+01 -0.983116D+01 -0.176603D+02  0.541164D+02  0.120029D+02
      3  -0.559896D+01 -0.184309D+01 -0.176318D+01  0.596954D+02 -0.583206D+01
      4   0.164535D+02  0.601233D+01 -0.826554D+01 -0.125924D+02 -0.235312D+02
      5   0.447745D+02 -0.143000D+02  0.176331D+01  0.371287D+01  0.101474D+02
      6  -0.448357D+01  0.789490D+01  0.334303D+01  0.725050D+01 -0.468049D+01
               201           202           203           204           205 
      1   0.827173D+01  0.110020D+03  0.497305D+01 -0.888166D+01 -0.126351D+02
      2  -0.552184D+01 -0.692093D+02 -0.151784D+02  0.863181D+01  0.988265D+01
      3  -0.274989D+01 -0.408105D+02  0.102053D+02  0.249847D+00  0.275245D+01
      4   0.810311D+01  0.155943D+02  0.222990D+02  0.150284D+01  0.563745D+00
      5   0.496936D+01 -0.328135D+01  0.215496D+01  0.131935D+02  0.616232D+01
      6   0.160162D+01  0.368261D+01  0.951366D+01  0.629938D+01  0.249511D+01
               206           207           208           209           210 
      1  -0.483873D+00 -0.110470D+02  0.185483D+02 -0.499064D+01  0.256599D+01
      2   0.343673D+01 -0.620283D+01 -0.101851D+02  0.222056D+01  0.812220D+00
      3  -0.295286D+01  0.172498D+02 -0.836319D+01  0.277008D+01 -0.337821D+01
      4   0.596056D+01  0.183178D+02 -0.194504D+02  0.111580D+02  0.277397D+01
      5   0.216888D+02 -0.884567D+01  0.164845D+01  0.198787D+01  0.202655D+02
      6   0.749151D+01  0.875343D+00  0.169338D+01 -0.839230D+00  0.809769D+00
               211           212           213           214           215 
      1  -0.166078D+02  0.171744D+01  0.299491D+01  0.307796D+01 -0.680222D-01
      2   0.680887D+01  0.187588D+01  0.236909D+01 -0.127750D+01  0.123139D+01
      3   0.979892D+01 -0.359332D+01 -0.536400D+01 -0.180046D+01 -0.116337D+01
      4   0.284731D+02 -0.226812D+02  0.422204D+01 -0.254885D+01  0.156385D+01
      5  -0.702488D+00  0.570845D+01  0.115029D+02  0.106973D+02 -0.651270D+01
      6  -0.585185D+00  0.279253D+01  0.908165D+01 -0.214419D+01  0.418150D+01
               216           217           218           219           220 
      1   0.278056D+01 -0.814094D+02  0.241129D+02  0.311430D+01  0.385734D+02
      2  -0.162346D+01  0.448308D+02 -0.121848D+02 -0.930086D+00 -0.184563D+02
      3  -0.115711D+01  0.365786D+02 -0.119281D+02 -0.218421D+01 -0.201171D+02
      4  -0.701725D+01  0.291486D+02  0.175719D+02 -0.672472D+01 -0.841984D+01
      5  -0.239944D+01  0.192281D+01 -0.656194D+01  0.964370D+01 -0.857449D+01
      6  -0.246250D+01 -0.341836D+01 -0.100297D+01  0.272855D+01 -0.353242D+01
               221           222           223           224           225 
      1   0.889485D+01 -0.100471D+02 -0.153740D+01 -0.588970D+01  0.161409D+02
      2  -0.668774D+01 -0.418323D+01 -0.383733D+01 -0.312157D+01 -0.637599D+01
      3  -0.220710D+01  0.142303D+02  0.537472D+01  0.901127D+01 -0.976490D+01
      4  -0.908765D+01 -0.200328D+02 -0.663605D+01 -0.166175D+02 -0.387871D+02
      5  -0.203602D+02 -0.636514D+02 -0.105774D+02 -0.377393D+02  0.259039D+02
      6  -0.464221D+01 -0.155662D+02 -0.855611D+01 -0.106453D+02  0.776796D+01
               226           227           228           229           230 
      1  -0.914906D+01 -0.182418D+02  0.429321D+01 -0.105647D+02 -0.463662D+02
      2   0.955735D+01  0.195302D+02 -0.322354D+01  0.115745D+02  0.552283D+02
      3  -0.408283D+00 -0.128837D+01 -0.106967D+01 -0.100977D+01 -0.886207D+01
      4   0.401122D+01  0.647645D+01 -0.986579D+00  0.312418D+01 -0.362187D+01
      5  -0.463180D+00 -0.516953D+00  0.128116D+01  0.105658D+00  0.208960D+01
      6  -0.272514D+01 -0.501267D+01  0.356862D+01 -0.301012D+01 -0.133423D+02
               231           232           233           234           235 
      1   0.941499D+01  0.273975D+01  0.969033D+01 -0.194906D+01  0.178202D+02
      2  -0.831067D+01 -0.298981D+01 -0.102375D+02  0.229371D+01  0.149822D+01
      3  -0.110432D+01  0.250063D+00  0.547130D+00 -0.344653D+00 -0.193184D+02
      4   0.944983D+00 -0.438142D+00  0.595195D+00  0.935945D+00 -0.374560D+02
      5  -0.143920D+01  0.219210D+01  0.724690D-01 -0.340499D+00  0.608063D+01
      6   0.888726D+01 -0.586753D-01  0.492281D+01 -0.264974D+01 -0.279735D+01
               236           237           238           239           240 
      1  -0.980880D+01  0.104779D+01 -0.750741D+01 -0.368591D+01  0.265181D+00
      2  -0.738258D+01  0.107829D+00 -0.133400D+02  0.307177D+02 -0.188270D+01
      3   0.171914D+02 -0.115562D+01  0.208474D+02 -0.270318D+02  0.161752D+01
      4   0.372673D+02 -0.385236D+01  0.438618D+02 -0.601937D+02  0.695698D+01
      5  -0.540115D+01  0.547569D+01 -0.797529D+01  0.948413D+01 -0.720671D+01
      6   0.299878D+01 -0.353616D+01  0.599640D+01 -0.787102D+01  0.708215D+01
               241           242           243           244           245 
      1  -0.131494D+00  0.905899D+00 -0.164968D+01  0.193514D+02  0.122960D+02
      2   0.315793D+01 -0.387526D+01  0.215307D+01 -0.761983D+01 -0.413609D+01
      3  -0.302644D+01  0.296936D+01 -0.503393D+00 -0.117316D+02 -0.815987D+01
      4  -0.545595D+01  0.750841D+01 -0.331455D+01  0.212736D+02  0.150771D+02
      5  -0.382586D+00 -0.284740D+01  0.165853D+01 -0.468820D+01 -0.302817D+01
      6   0.794289D+00  0.302158D+01 -0.183552D+01 -0.118778D+01 -0.112635D+01
               246           247           248           249           250 
      1  -0.327446D+01  0.139022D+02 -0.406484D+00 -0.654487D+00 -0.374664D+01
      2   0.157922D+01 -0.116527D+01  0.113883D+02 -0.382361D+00  0.144490D+01
      3   0.169524D+01 -0.127369D+02 -0.109818D+02  0.103685D+01  0.230175D+01
      4  -0.369627D+01  0.256620D+02  0.358458D+02 -0.719680D+01 -0.585461D+01
      5   0.273085D+01 -0.493280D+01 -0.581357D+01  0.519631D+01  0.189236D+01
      6   0.106147D+01 -0.237728D+01 -0.403027D+01  0.447764D+01  0.223386D+01
               251           252           253           254           255 
      1  -0.106099D+01 -0.634104D+00 -0.517963D+00  0.182369D+00 -0.111335D+02
      2  -0.112848D+01  0.155905D+01 -0.609795D+00 -0.420592D+00  0.315060D+01
      3   0.218947D+01 -0.924947D+00  0.112776D+01  0.238223D+00  0.798286D+01
      4  -0.759028D+01  0.168985D+01 -0.311117D+01 -0.227247D+01 -0.457801D+00
      5   0.187271D+00 -0.935002D+00 -0.624360D+01 -0.464935D-02 -0.713342D+01
      6   0.162582D+01 -0.165900D+01 -0.112448D+01  0.942191D+00 -0.277995D+01
               256           257           258           259           260 
      1   0.432672D+01  0.304015D+00  0.134759D+01 -0.296022D+02 -0.221577D+01
      2  -0.262336D+01  0.717298D+00  0.654214D+00  0.201013D+02  0.259177D+01
      3  -0.170335D+01 -0.102131D+01 -0.200180D+01  0.950088D+01 -0.376000D+00
      4   0.148502D+02  0.168693D+02 -0.154163D+02 -0.162037D+02 -0.163296D+02
      5  -0.100168D+02 -0.142130D+02  0.273916D+02  0.307594D+02  0.225951D+02
      6  -0.356132D+01 -0.633334D+01  0.109938D+02  0.801253D+01  0.969973D+01
               261           262           263           264           265 
      1  -0.440655D+01  0.201114D+03 -0.144150D+02 -0.799222D+01 -0.398472D+02
      2  -0.114466D+02 -0.105808D+03  0.853791D+01  0.510490D+01  0.219556D+02
      3   0.158532D+02 -0.953058D+02  0.587705D+01  0.288731D+01  0.178916D+02
      4   0.244742D+02 -0.500182D+01  0.156078D+02  0.944762D+00  0.196340D+02
      5  -0.648553D+02 -0.118009D+02  0.156137D+01  0.179699D+02  0.303939D+01
      6  -0.154746D+02  0.182103D+01 -0.919834D+00  0.609530D+00 -0.138400D+01
               266           267           268           269           270 
      1   0.179295D+02  0.179342D+01 -0.334228D+01  0.523673D+00  0.141035D+02
      2  -0.870026D+01 -0.870294D+00  0.269246D+01  0.177508D+00 -0.859312D+01
      3  -0.922926D+01 -0.923122D+00  0.649825D+00 -0.701181D+00 -0.551042D+01
      4  -0.925787D+01  0.541876D+00  0.869984D+00  0.150906D+01  0.196887D+01
      5   0.234927D+00 -0.258226D+01  0.212813D+02  0.119935D+01 -0.391209D+01
      6   0.990614D+00  0.142531D+01  0.341459D+00  0.196593D+01 -0.347148D+00
               271           272           273           274           275 
      1   0.706292D+01  0.462984D+01  0.862931D+01  0.183874D+02  0.659292D+01
      2  -0.270473D+01 -0.240996D+01 -0.455441D+01 -0.553831D+01  0.579625D+01
      3  -0.435818D+01 -0.221988D+01 -0.407490D+01 -0.128491D+02 -0.123892D+02
      4   0.291951D+01  0.149254D+01  0.228379D+01  0.302774D+02  0.406142D+02
      5   0.846120D+01  0.141396D+01 -0.381187D+01  0.142858D+02  0.242443D+02
      6   0.204593D+01 -0.132796D+00 -0.188344D+01  0.539356D+01  0.843813D+01
               276           277           278           279 
      1   0.249439D+01  0.311151D+02  0.622135D+01 -0.238503D+00
      2   0.340533D+01 -0.140847D+02  0.584226D+00 -0.127100D+01
      3  -0.589972D+01 -0.170304D+02 -0.680558D+01  0.150950D+01
      4   0.245776D+02  0.228886D+02  0.268862D+02  0.261347D+02
      5   0.292620D+02  0.210274D+02  0.255170D+02  0.351652D+02
      6   0.939705D+01  0.741998D+01  0.919542D+01  0.983828D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 00:43:16 2021, MaxMem=  5368709120 cpu:           65275.8 elap:            8179.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31730 -19.31571 -19.25611 -10.43030 -10.37537
 Alpha  occ. eigenvalues --  -10.36056 -10.33044 -10.32621 -10.32412 -10.32090
 Alpha  occ. eigenvalues --  -10.31754 -10.31729 -10.31673 -10.31536 -10.31282
 Alpha  occ. eigenvalues --  -10.30850 -10.29450  -1.20997  -1.19018  -1.12730
 Alpha  occ. eigenvalues --   -0.99948  -0.95432  -0.91014  -0.88917  -0.86009
 Alpha  occ. eigenvalues --   -0.83716  -0.81086  -0.76229  -0.73856  -0.71803
 Alpha  occ. eigenvalues --   -0.70946  -0.69385  -0.64054  -0.62880  -0.62241
 Alpha  occ. eigenvalues --   -0.60154  -0.57394  -0.57169  -0.55404  -0.55062
 Alpha  occ. eigenvalues --   -0.54955  -0.53898  -0.52493  -0.51473  -0.51125
 Alpha  occ. eigenvalues --   -0.50604  -0.50133  -0.48520  -0.47102  -0.46373
 Alpha  occ. eigenvalues --   -0.45229  -0.44776  -0.44139  -0.43233  -0.42134
 Alpha  occ. eigenvalues --   -0.40644  -0.40254  -0.38191  -0.35822  -0.32170
 Alpha  occ. eigenvalues --   -0.29533
 Alpha virt. eigenvalues --    0.00513   0.02709   0.03419   0.03512   0.03854
 Alpha virt. eigenvalues --    0.04652   0.04882   0.05307   0.05925   0.06202
 Alpha virt. eigenvalues --    0.06362   0.06824   0.07256   0.07889   0.08285
 Alpha virt. eigenvalues --    0.08720   0.09195   0.09506   0.10322   0.10923
 Alpha virt. eigenvalues --    0.11336   0.11581   0.11819   0.12942   0.12985
 Alpha virt. eigenvalues --    0.13167   0.13414   0.13527   0.14153   0.14190
 Alpha virt. eigenvalues --    0.14394   0.14925   0.15091   0.15626   0.15694
 Alpha virt. eigenvalues --    0.16008   0.16265   0.16416   0.17035   0.17198
 Alpha virt. eigenvalues --    0.17523   0.17803   0.18248   0.18641   0.18745
 Alpha virt. eigenvalues --    0.18968   0.19676   0.19970   0.20157   0.20225
 Alpha virt. eigenvalues --    0.20974   0.21114   0.21668   0.22526   0.22984
 Alpha virt. eigenvalues --    0.23394   0.23807   0.24019   0.24991   0.25386
 Alpha virt. eigenvalues --    0.25447   0.25650   0.26385   0.26754   0.26836
 Alpha virt. eigenvalues --    0.27083   0.27255   0.28012   0.28147   0.28442
 Alpha virt. eigenvalues --    0.28799   0.29140   0.29682   0.30099   0.30142
 Alpha virt. eigenvalues --    0.30623   0.30761   0.31280   0.31418   0.31794
 Alpha virt. eigenvalues --    0.31877   0.32123   0.32849   0.32981   0.33189
 Alpha virt. eigenvalues --    0.33963   0.34294   0.34666   0.35260   0.35307
 Alpha virt. eigenvalues --    0.35479   0.35846   0.36280   0.36503   0.36876
 Alpha virt. eigenvalues --    0.37049   0.37373   0.37929   0.38248   0.38345
 Alpha virt. eigenvalues --    0.39098   0.39170   0.39920   0.40445   0.40601
 Alpha virt. eigenvalues --    0.41320   0.41403   0.41778   0.42203   0.42369
 Alpha virt. eigenvalues --    0.43038   0.43832   0.44291   0.44456   0.44633
 Alpha virt. eigenvalues --    0.45463   0.46000   0.46245   0.46628   0.47578
 Alpha virt. eigenvalues --    0.47725   0.47969   0.48679   0.49384   0.49639
 Alpha virt. eigenvalues --    0.50234   0.50340   0.50812   0.51092   0.51799
 Alpha virt. eigenvalues --    0.52366   0.53600   0.54135   0.54534   0.54796
 Alpha virt. eigenvalues --    0.55332   0.56414   0.56893   0.57204   0.57664
 Alpha virt. eigenvalues --    0.57980   0.58158   0.58419   0.58778   0.59512
 Alpha virt. eigenvalues --    0.59941   0.60201   0.60800   0.60987   0.61612
 Alpha virt. eigenvalues --    0.61767   0.62297   0.63276   0.63456   0.63747
 Alpha virt. eigenvalues --    0.64659   0.64958   0.65174   0.65719   0.66152
 Alpha virt. eigenvalues --    0.66570   0.66743   0.67424   0.67551   0.67786
 Alpha virt. eigenvalues --    0.68305   0.68521   0.69020   0.69448   0.70347
 Alpha virt. eigenvalues --    0.70751   0.70820   0.71381   0.71830   0.72087
 Alpha virt. eigenvalues --    0.72594   0.73149   0.73268   0.73621   0.74224
 Alpha virt. eigenvalues --    0.75133   0.75496   0.75817   0.76228   0.76493
 Alpha virt. eigenvalues --    0.76710   0.77740   0.77945   0.78366   0.78745
 Alpha virt. eigenvalues --    0.79797   0.80470   0.81085   0.81222   0.81623
 Alpha virt. eigenvalues --    0.82077   0.82669   0.83045   0.83191   0.83568
 Alpha virt. eigenvalues --    0.83720   0.84205   0.84875   0.85259   0.85922
 Alpha virt. eigenvalues --    0.86510   0.87294   0.87961   0.88299   0.88750
 Alpha virt. eigenvalues --    0.89170   0.89785   0.90868   0.91173   0.92457
 Alpha virt. eigenvalues --    0.92526   0.93029   0.93618   0.94125   0.94711
 Alpha virt. eigenvalues --    0.96111   0.97011   0.97865   0.98572   0.99111
 Alpha virt. eigenvalues --    0.99732   1.00462   1.01015   1.02587   1.03487
 Alpha virt. eigenvalues --    1.04168   1.06174   1.06728   1.07524   1.07942
 Alpha virt. eigenvalues --    1.08731   1.09367   1.10366   1.11593   1.12163
 Alpha virt. eigenvalues --    1.13166   1.13413   1.15339   1.16187   1.16695
 Alpha virt. eigenvalues --    1.17327   1.19751   1.20601   1.21063   1.22109
 Alpha virt. eigenvalues --    1.22341   1.23810   1.24754   1.25307   1.26124
 Alpha virt. eigenvalues --    1.27449   1.28178   1.29159   1.29397   1.31010
 Alpha virt. eigenvalues --    1.32042   1.33148   1.34006   1.34625   1.35674
 Alpha virt. eigenvalues --    1.36835   1.38611   1.39438   1.39679   1.39989
 Alpha virt. eigenvalues --    1.41130   1.42837   1.43217   1.44503   1.45177
 Alpha virt. eigenvalues --    1.45268   1.46375   1.46913   1.48386   1.49350
 Alpha virt. eigenvalues --    1.49807   1.50444   1.51687   1.52015   1.52698
 Alpha virt. eigenvalues --    1.53828   1.54957   1.55309   1.55708   1.56744
 Alpha virt. eigenvalues --    1.57509   1.58078   1.59351   1.59854   1.60631
 Alpha virt. eigenvalues --    1.61433   1.62442   1.62674   1.62904   1.64705
 Alpha virt. eigenvalues --    1.65043   1.65461   1.66614   1.67377   1.68842
 Alpha virt. eigenvalues --    1.69635   1.70125   1.70204   1.71489   1.71890
 Alpha virt. eigenvalues --    1.72281   1.72968   1.74193   1.74361   1.75270
 Alpha virt. eigenvalues --    1.75738   1.76666   1.76761   1.78316   1.79746
 Alpha virt. eigenvalues --    1.80297   1.80789   1.81409   1.82266   1.83123
 Alpha virt. eigenvalues --    1.84237   1.85410   1.85486   1.86778   1.87371
 Alpha virt. eigenvalues --    1.88582   1.90087   1.90549   1.91634   1.93336
 Alpha virt. eigenvalues --    1.93914   1.95247   1.95856   1.96377   1.97478
 Alpha virt. eigenvalues --    1.98091   1.98540   1.99450   2.00345   2.02155
 Alpha virt. eigenvalues --    2.02274   2.03092   2.03720   2.04280   2.05078
 Alpha virt. eigenvalues --    2.05977   2.07008   2.07507   2.08438   2.09260
 Alpha virt. eigenvalues --    2.09726   2.10216   2.10790   2.12380   2.12804
 Alpha virt. eigenvalues --    2.13481   2.14414   2.15578   2.16265   2.17659
 Alpha virt. eigenvalues --    2.19157   2.19785   2.20335   2.20541   2.21411
 Alpha virt. eigenvalues --    2.22331   2.23882   2.24885   2.26036   2.26617
 Alpha virt. eigenvalues --    2.27116   2.27992   2.30721   2.32295   2.32810
 Alpha virt. eigenvalues --    2.34413   2.36526   2.37863   2.38098   2.39017
 Alpha virt. eigenvalues --    2.41054   2.41994   2.42356   2.43654   2.45353
 Alpha virt. eigenvalues --    2.45710   2.46584   2.49189   2.50059   2.51861
 Alpha virt. eigenvalues --    2.53200   2.57999   2.59622   2.60130   2.61089
 Alpha virt. eigenvalues --    2.62609   2.65255   2.67635   2.69314   2.70035
 Alpha virt. eigenvalues --    2.70925   2.72209   2.72987   2.74884   2.77483
 Alpha virt. eigenvalues --    2.79579   2.80926   2.83794   2.84228   2.89609
 Alpha virt. eigenvalues --    2.89805   2.93271   2.94567   2.98268   2.98551
 Alpha virt. eigenvalues --    3.00664   3.03782   3.04319   3.13852   3.15327
 Alpha virt. eigenvalues --    3.20100   3.26099   3.30166   3.38678   3.42433
 Alpha virt. eigenvalues --    3.44866   3.47431   3.48988   3.49289   3.50860
 Alpha virt. eigenvalues --    3.52159   3.55453   3.56748   3.58920   3.60401
 Alpha virt. eigenvalues --    3.61584   3.62330   3.68050   3.75193   3.82047
 Alpha virt. eigenvalues --    3.84544   3.88034   3.90002   3.99647   4.10622
 Alpha virt. eigenvalues --    4.49329   4.77093
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   25.051090  -2.517048  -8.246141   1.480870  -2.260660   1.773368
     2  C   -2.517048  22.043276   2.157612  -0.824401   0.786626  -6.488739
     3  C   -8.246141   2.157612  27.497224  -7.114743  -2.491606   0.401816
     4  C    1.480870  -0.824401  -7.114743  18.999951  -4.136615  -0.913436
     5  C   -2.260660   0.786626  -2.491606  -4.136615  24.455486 -10.379981
     6  C    1.773368  -6.488739   0.401816  -0.913436 -10.379981  25.885023
     7  C  -11.554556   1.780938  -4.126862   1.481660  -2.415525   1.794682
     8  H    0.722187  -0.821133  -3.642325   1.102234   0.354188  -0.056361
     9  H   -0.068535  -0.350462   0.465151   0.004366  -3.105995   1.687889
    10  H   -0.715391   0.280047  -0.143773  -0.036679   2.193454  -3.406543
    11  C    0.407558  -0.825778  -1.242063  -2.323612  -1.833293   1.315906
    12  C   -0.031624  -0.020011  -0.204227  -0.361469  -0.051360  -0.082757
    13  C   -0.090589  -0.008431  -0.282300   0.340543  -0.286321  -0.065352
    14  H   -0.101640  -0.053926   0.159655  -0.093376   0.045532   0.068006
    15  H    0.048341  -0.075096  -0.099026  -0.275690   0.035475   0.034322
    16  H   -0.053719   0.032478   0.022717   0.685873  -0.113275  -0.023977
    17  H   -0.016644  -0.007774   0.162103  -0.550342   0.079208   0.029817
    18  O   -0.018890   0.020417   0.098669  -0.018143   0.002042  -0.016820
    19  O   -0.035689  -0.023535   0.105955  -0.192890  -0.010476   0.033760
    20  H    0.016869  -0.047639  -0.066243   0.109672  -0.013573   0.018491
    21  C    4.595087  -5.986640   0.363475  -0.435602   1.091455  -0.841322
    22  C   -5.522509   0.985785  -0.198364   0.352039   0.292868   0.134758
    23  C    2.392344  -5.034909   0.960446  -1.429951   3.164190  -5.841373
    24  O    0.190312   0.059219  -0.013456   0.026842  -0.028645  -0.071766
    25  C   -0.279106   0.060475  -0.012200  -0.002349   0.031926   0.022525
    26  H    1.625595  -0.205343   0.257124  -0.099513   0.033765  -0.100025
    27  H   -0.541729   0.214047  -0.064555   0.027350   0.002668   0.038314
    28  H   -0.522493   0.342217   0.028470  -0.058258   0.229089   0.138639
    29  H   -0.023333   0.064075  -0.001290   0.003348  -0.011898  -0.004380
    30  H    0.014159  -0.101031  -0.000612  -0.001720   0.007453   0.012666
    31  H   -0.022091   0.068479   0.000445   0.002725  -0.013621  -0.004599
               7          8          9         10         11         12
     1  C  -11.554556   0.722187  -0.068535  -0.715391   0.407558  -0.031624
     2  C    1.780938  -0.821133  -0.350462   0.280047  -0.825778  -0.020011
     3  C   -4.126862  -3.642325   0.465151  -0.143773  -1.242063  -0.204227
     4  C    1.481660   1.102234   0.004366  -0.036679  -2.323612  -0.361469
     5  C   -2.415525   0.354188  -3.105995   2.193454  -1.833293  -0.051360
     6  C    1.794682  -0.056361   1.687889  -3.406543   1.315906  -0.082757
     7  C   34.364478   0.480429   0.088722  -0.166208   0.283614   0.003497
     8  H    0.480429   3.906901  -0.029547  -0.000704   0.007347   0.057327
     9  H    0.088722  -0.029547   3.361043  -0.284316   0.497389   0.022505
    10  H   -0.166208  -0.000704  -0.284316   3.196470   0.014194   0.005347
    11  C    0.283614   0.007347   0.497389   0.014194  12.360574   0.289755
    12  C    0.003497   0.057327   0.022505   0.005347   0.289755   4.758296
    13  C    0.039584   0.075297   0.019718  -0.000519  -1.442720  -0.027785
    14  H    0.042709  -0.004190  -0.141280   0.005383  -1.027253   0.168934
    15  H    0.034899  -0.085492   0.003406  -0.000114  -0.125675   0.527350
    16  H   -0.002481   0.021877   0.004372  -0.000004  -0.298585  -0.030891
    17  H   -0.017976   0.009411  -0.002119   0.002469   0.426661   0.121411
    18  O   -0.007809  -0.016853   0.000163  -0.000154  -0.220059   0.051032
    19  O    0.006259   0.011434  -0.001897   0.001173   0.330169  -0.016752
    20  H    0.018065  -0.005904  -0.010892  -0.000038  -0.146214   0.011892
    21  C  -16.320583   0.296393   0.036054   0.003647  -0.129835   0.012538
    22  C    6.771082  -0.002935  -0.041540   0.205876   0.096281  -0.007366
    23  C   -5.899418  -0.092614  -0.224274   0.937611  -0.356471  -0.034583
    24  O   -0.249747   0.000279  -0.000152   0.001942  -0.000634   0.000034
    25  C    0.422798  -0.000825  -0.000983   0.014360   0.000638  -0.000085
    26  H   -4.053590  -0.257472   0.004562  -0.004649  -0.004654   0.004561
    27  H    1.773922  -0.001249  -0.001403   0.006449  -0.001400  -0.000005
    28  H   -0.155878   0.010400   0.009506  -0.212499  -0.005596   0.000470
    29  H    0.037045  -0.000587  -0.000509   0.003020   0.000463  -0.000027
    30  H   -0.003122   0.000126   0.000161  -0.001504  -0.000096   0.000016
    31  H    0.035906  -0.000339  -0.000593   0.003161   0.000428  -0.000070
              13         14         15         16         17         18
     1  C   -0.090589  -0.101640   0.048341  -0.053719  -0.016644  -0.018890
     2  C   -0.008431  -0.053926  -0.075096   0.032478  -0.007774   0.020417
     3  C   -0.282300   0.159655  -0.099026   0.022717   0.162103   0.098669
     4  C    0.340543  -0.093376  -0.275690   0.685873  -0.550342  -0.018143
     5  C   -0.286321   0.045532   0.035475  -0.113275   0.079208   0.002042
     6  C   -0.065352   0.068006   0.034322  -0.023977   0.029817  -0.016820
     7  C    0.039584   0.042709   0.034899  -0.002481  -0.017976  -0.007809
     8  H    0.075297  -0.004190  -0.085492   0.021877   0.009411  -0.016853
     9  H    0.019718  -0.141280   0.003406   0.004372  -0.002119   0.000163
    10  H   -0.000519   0.005383  -0.000114  -0.000004   0.002469  -0.000154
    11  C   -1.442720  -1.027253  -0.125675  -0.298585   0.426661  -0.220059
    12  C   -0.027785   0.168934   0.527350  -0.030891   0.121411   0.051032
    13  C    6.824831   0.106870  -0.022132   0.021356  -0.076793   0.329484
    14  H    0.106870   2.261116   0.099235  -0.019688  -0.055930   0.043633
    15  H   -0.022132   0.099235   1.610694  -0.350559  -0.261098   0.037176
    16  H    0.021356  -0.019688  -0.350559   1.714857  -0.365492  -0.008996
    17  H   -0.076793  -0.055930  -0.261098  -0.365492   1.698749   0.014232
    18  O    0.329484   0.043633   0.037176  -0.008996   0.014232   8.358910
    19  O   -0.288728   0.004724   0.006970  -0.003287   0.005169  -0.108045
    20  H    0.023994   0.028307   0.003377   0.001033  -0.002358   0.015534
    21  C    0.002756  -0.010012   0.006458   0.001152  -0.002656  -0.000358
    22  C    0.003926   0.006368   0.000138  -0.000324  -0.000041  -0.000562
    23  C   -0.030677  -0.019929  -0.012505   0.000905   0.004548   0.002502
    24  O    0.000010  -0.000090   0.000084  -0.000009   0.000007   0.000000
    25  C   -0.000009   0.000107  -0.000055  -0.000009   0.000044   0.000000
    26  H   -0.001569  -0.003100   0.007361  -0.001040  -0.000593   0.000321
    27  H   -0.000091   0.000042  -0.000412   0.000057   0.000136   0.000029
    28  H   -0.000614  -0.001328  -0.000436   0.000118   0.000114   0.000055
    29  H    0.000008   0.000091   0.000021  -0.000003  -0.000007  -0.000001
    30  H   -0.000005  -0.000026  -0.000009   0.000001   0.000007   0.000000
    31  H    0.000036   0.000109  -0.000005  -0.000002  -0.000026  -0.000002
              19         20         21         22         23         24
     1  C   -0.035689   0.016869   4.595087  -5.522509   2.392344   0.190312
     2  C   -0.023535  -0.047639  -5.986640   0.985785  -5.034909   0.059219
     3  C    0.105955  -0.066243   0.363475  -0.198364   0.960446  -0.013456
     4  C   -0.192890   0.109672  -0.435602   0.352039  -1.429951   0.026842
     5  C   -0.010476  -0.013573   1.091455   0.292868   3.164190  -0.028645
     6  C    0.033760   0.018491  -0.841322   0.134758  -5.841373  -0.071766
     7  C    0.006259   0.018065 -16.320583   6.771082  -5.899418  -0.249747
     8  H    0.011434  -0.005904   0.296393  -0.002935  -0.092614   0.000279
     9  H   -0.001897  -0.010892   0.036054  -0.041540  -0.224274  -0.000152
    10  H    0.001173  -0.000038   0.003647   0.205876   0.937611   0.001942
    11  C    0.330169  -0.146214  -0.129835   0.096281  -0.356471  -0.000634
    12  C   -0.016752   0.011892   0.012538  -0.007366  -0.034583   0.000034
    13  C   -0.288728   0.023994   0.002756   0.003926  -0.030677   0.000010
    14  H    0.004724   0.028307  -0.010012   0.006368  -0.019929  -0.000090
    15  H    0.006970   0.003377   0.006458   0.000138  -0.012505   0.000084
    16  H   -0.003287   0.001033   0.001152  -0.000324   0.000905  -0.000009
    17  H    0.005169  -0.002358  -0.002656  -0.000041   0.004548   0.000007
    18  O   -0.108045   0.015534  -0.000358  -0.000562   0.002502   0.000000
    19  O    8.427065   0.233705   0.004607  -0.002987  -0.004086   0.000002
    20  H    0.233705   0.635610  -0.000513   0.001361  -0.008819   0.000017
    21  C    0.004607  -0.000513  28.400168  -7.818838   3.631864  -0.034925
    22  C   -0.002987   0.001361  -7.818838  16.717133  -6.387431  -0.775735
    23  C   -0.004086  -0.008819   3.631864  -6.387431  20.790225   0.586555
    24  O    0.000002   0.000017  -0.034925  -0.775735   0.586555   9.279668
    25  C   -0.000019  -0.000020  -0.411479   0.134100  -0.144697   0.165001
    26  H   -0.001878  -0.000909   2.318220  -0.897696   0.317654  -0.005311
    27  H    0.000101   0.000157  -3.105322   1.306698  -0.250148  -0.128295
    28  H    0.000028  -0.000041   0.467303   1.130528  -2.973247  -0.186471
    29  H   -0.000010   0.000007  -0.042296  -0.087871   0.033230   0.103720
    30  H    0.000001  -0.000008   0.029058   0.245937  -0.043500  -0.358681
    31  H   -0.000007   0.000018  -0.046559  -0.076715   0.027742   0.103219
              25         26         27         28         29         30
     1  C   -0.279106   1.625595  -0.541729  -0.522493  -0.023333   0.014159
     2  C    0.060475  -0.205343   0.214047   0.342217   0.064075  -0.101031
     3  C   -0.012200   0.257124  -0.064555   0.028470  -0.001290  -0.000612
     4  C   -0.002349  -0.099513   0.027350  -0.058258   0.003348  -0.001720
     5  C    0.031926   0.033765   0.002668   0.229089  -0.011898   0.007453
     6  C    0.022525  -0.100025   0.038314   0.138639  -0.004380   0.012666
     7  C    0.422798  -4.053590   1.773922  -0.155878   0.037045  -0.003122
     8  H   -0.000825  -0.257472  -0.001249   0.010400  -0.000587   0.000126
     9  H   -0.000983   0.004562  -0.001403   0.009506  -0.000509   0.000161
    10  H    0.014360  -0.004649   0.006449  -0.212499   0.003020  -0.001504
    11  C    0.000638  -0.004654  -0.001400  -0.005596   0.000463  -0.000096
    12  C   -0.000085   0.004561  -0.000005   0.000470  -0.000027   0.000016
    13  C   -0.000009  -0.001569  -0.000091  -0.000614   0.000008  -0.000005
    14  H    0.000107  -0.003100   0.000042  -0.001328   0.000091  -0.000026
    15  H   -0.000055   0.007361  -0.000412  -0.000436   0.000021  -0.000009
    16  H   -0.000009  -0.001040   0.000057   0.000118  -0.000003   0.000001
    17  H    0.000044  -0.000593   0.000136   0.000114  -0.000007   0.000007
    18  O    0.000000   0.000321   0.000029   0.000055  -0.000001   0.000000
    19  O   -0.000019  -0.001878   0.000101   0.000028  -0.000010   0.000001
    20  H   -0.000020  -0.000909   0.000157  -0.000041   0.000007  -0.000008
    21  C   -0.411479   2.318220  -3.105322   0.467303  -0.042296   0.029058
    22  C    0.134100  -0.897696   1.306698   1.130528  -0.087871   0.245937
    23  C   -0.144697   0.317654  -0.250148  -2.973247   0.033230  -0.043500
    24  O    0.165001  -0.005311  -0.128295  -0.186471   0.103720  -0.358681
    25  C    4.168962  -0.007402   0.048944  -0.037974   0.324174   0.248985
    26  H   -0.007402   3.162218  -0.195700   0.010299  -0.000837   0.000151
    27  H    0.048944  -0.195700   2.721373  -0.047245   0.009806  -0.008826
    28  H   -0.037974   0.010299  -0.047245   4.061460  -0.071701   0.048739
    29  H    0.324174  -0.000837   0.009806  -0.071701   1.299521  -0.448296
    30  H    0.248985   0.000151  -0.008826   0.048739  -0.448296   2.260250
    31  H    0.318563  -0.001113   0.010189  -0.074630  -0.096989  -0.450109
              31
     1  C   -0.022091
     2  C    0.068479
     3  C    0.000445
     4  C    0.002725
     5  C   -0.013621
     6  C   -0.004599
     7  C    0.035906
     8  H   -0.000339
     9  H   -0.000593
    10  H    0.003161
    11  C    0.000428
    12  C   -0.000070
    13  C    0.000036
    14  H    0.000109
    15  H   -0.000005
    16  H   -0.000002
    17  H   -0.000026
    18  O   -0.000002
    19  O   -0.000007
    20  H    0.000018
    21  C   -0.046559
    22  C   -0.076715
    23  C    0.027742
    24  O    0.103219
    25  C    0.318563
    26  H   -0.001113
    27  H    0.010189
    28  H   -0.074630
    29  H   -0.096989
    30  H   -0.450109
    31  H    1.304871
 Mulliken charges:
               1
     1  C    0.304608
     2  C    0.496204
     3  C    1.268924
     4  C    0.251317
     5  C    0.347418
     6  C    0.907448
     7  C    1.513462
     8  H   -1.037299
     9  H   -0.940509
    10  H   -0.901506
    11  C   -0.047038
    12  C    0.834050
    13  C    0.836220
    14  H   -0.509053
    15  H   -0.147004
    16  H   -0.234453
    17  H   -0.194234
    18  O   -0.557508
    19  O   -0.480839
    20  H    0.185062
    21  C   -0.073294
    22  C   -0.563963
    23  C    1.938818
    24  O   -0.662995
    25  C    0.935610
    26  H   -0.899439
    27  H   -0.813904
    28  H   -1.129022
    29  H   -0.088494
    30  H   -0.450166
    31  H   -0.088421
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.304608
     2  C    0.496204
     3  C    0.231625
     4  C    0.251317
     5  C   -0.593092
     6  C    0.005942
     7  C    0.614024
    11  C   -0.556092
    12  C    0.258359
    13  C    0.836220
    18  O   -0.557508
    19  O   -0.295777
    21  C   -0.887198
    22  C   -0.563963
    23  C    0.809796
    24  O   -0.662995
    25  C    0.308530
 Electronic spatial extent (au):  <R**2>=           5397.8508
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.1353    Y=              3.2372    Z=              0.7699  Tot=              6.1191
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -111.1792   YY=            -93.1668   ZZ=           -103.7294
   XY=             -5.3499   XZ=             -8.1630   YZ=             -4.4843
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.4874   YY=              9.5250   ZZ=             -1.0376
   XY=             -5.3499   XZ=             -8.1630   YZ=             -4.4843
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            207.7653  YYY=             -4.2567  ZZZ=             -6.2776  XYY=             10.1646
  XXY=             84.7119  XXZ=             16.5293  XZZ=              0.3760  YZZ=              1.2084
  YYZ=              0.9367  XYZ=              5.1839
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6017.7112 YYYY=           -750.5364 ZZZZ=           -460.2325 XXXY=            -75.0225
 XXXZ=           -159.9953 YYYX=            -14.2682 YYYZ=            -17.3209 ZZZX=             -4.6956
 ZZZY=              1.4957 XXYY=          -1107.2329 XXZZ=          -1081.3592 YYZZ=           -222.0678
 XXYZ=            -44.0405 YYXZ=              1.7861 ZZXY=             -2.4171
 N-N= 1.136458378304D+03 E-N=-4.060507784679D+03  KE= 7.630446716880D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 00:43:16 2021, MaxMem=  5368709120 cpu:               3.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.03985586D+00 1.24897840D+00 2.79794449D-01
 Polarizability= 2.69966724D+02-8.74665879D+00 1.63259685D+02
                -9.92468520D+00-7.70018486D+00 1.12641812D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        4.9802    4.9789       -5.7830   -5.7827
 2     -4.9802   -4.9789        4.1064    4.1057      -58.1841  -58.1786
 3      5.7830    5.7827       85.5464   85.5443       -4.1057   -4.1057
 4     -4.1064   -4.1057       -0.0000    0.0000        5.7814    5.7827
 5    -27.3623  -27.3657       -5.7814   -5.7827        4.9833    4.9789
 6      4.1057    4.1057       -4.9833   -4.9789        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -14.9366  -14.9366      -17.3483  -17.3482
 2    -12.3171  -12.3171       -0.0000    0.0000      -17.3482  -17.3482
 3    -12.3171  -12.3171      -14.9366  -14.9366       -0.0000    0.0000
 4    -14.9366  -14.9366       12.3171   12.3171     -174.5357 -174.5357
 5     17.3482   17.3482      256.6329  256.6329      -12.3171  -12.3171
 6    -82.0972  -82.0972      -17.3483  -17.3482       14.9366   14.9366
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.3596    0.0000      -20.3978  -19.9155       22.7769   23.1310
 2     19.9841   19.9155      -16.9111  -16.4228      233.0431  232.7142
 3    -22.0823  -23.1310     -343.0918 -342.1772       16.2641   16.4228
 4     16.6170   16.4228       -0.0682    0.0000      -22.8566  -23.1310
 5    109.6403  109.4629       23.0503   23.1310      -20.1107  -19.9155
 6    -16.3431  -16.4228       19.5266   19.9155       -0.1215    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3253    0.0000       32.9799   32.9402        4.7579    4.8809
 2    -33.5137  -32.9402      -86.5743  -86.9041        4.4272    4.8677
 3     -4.7186   -4.8809       61.4332   61.5943       85.0952   86.9041
 4     86.8056   86.9041        0.1529    0.0000       -5.1098   -4.8809
 5    -65.9483  -66.4621        4.7775    4.8809       32.0131   32.9402
 6    -86.5298  -86.9041      -33.2213  -32.9402        0.3897    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     34.2510   34.9886       44.1145   43.4926        7.3309    7.2942
 2    179.8629  180.5161      111.7033  111.2745        6.8877    7.2942
 3    179.6808  180.5161       44.2201   43.4926       -1.4345   -0.9808
 4    -67.1962  -67.7819     -146.3064 -145.5275       19.0970   19.0866
 5     -9.0975   -8.2750       72.1557   71.2762      145.5934  145.5275
 6    -88.3729  -90.3628        7.7455    8.2750       66.2370   67.7819
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9330   -1.2631   -0.0005    0.0001    0.0007    3.6137
 Low frequencies ---   20.9639   30.9939   46.3843
 Diagonal vibrational polarizability:
      126.3919677     136.0127577      98.8231612
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     20.9332                30.9816                46.3837
 Red. masses --      4.6169                 7.2286                 5.1424
 Frc consts  --      0.0012                 0.0041                 0.0065
 IR Inten    --      2.4872                 5.1536                 0.2753
 RamAct Fr= 1--      3.7651                 2.4398                 3.0895
  Dep-P Fr= 1--      0.7455                 0.7425                 0.7439
  Dep-U Fr= 1--      0.8542                 0.8522                 0.8532
 Alpha2 Fr= 1--      0.0003                 0.0003                 0.0003
 Beta2  Fr= 1--      0.5360                 0.3465                 0.4393
 AlphaG Fr= 1--     -0.0016                 0.0083                 0.0027
 Gamma2 Fr= 1--      0.7597                -0.6994                 1.6507
 Delta2 Fr= 1--      0.8839                -0.6908                 0.5133
 Raman1 Fr= 1--      15.060                  9.759                 12.358
 ROA1   Fr= 1--     101.219                -89.247                174.894
 CID1   Fr= 1--       6.721                 -9.145                 14.152
 Raman2 Fr= 1--       6.433                  4.159                  5.272
 ROA2   Fr= 1--      11.162                -11.258                 35.510
 CID2   Fr= 1--       1.735                 -2.707                  6.736
 Raman3 Fr= 1--      12.865                  8.317                 10.544
 ROA3   Fr= 1--     101.219                -89.247                174.894
 CID3   Fr= 1--       7.868                -10.730                 16.588
 RC180  Fr= 1--       0.708                  0.704                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.11    -0.02   0.02   0.06    -0.02   0.03   0.09
     2   6     0.01   0.02   0.02    -0.01  -0.00  -0.00    -0.01   0.04   0.13
     3   6    -0.02   0.01  -0.14    -0.02   0.03   0.07    -0.02   0.04   0.07
     4   6     0.00   0.03  -0.07    -0.01   0.03   0.03    -0.01   0.04   0.07
     5   6     0.02   0.05   0.04    -0.01   0.01  -0.03     0.00   0.05   0.15
     6   6     0.02   0.04   0.09    -0.01  -0.00  -0.05     0.00   0.05   0.19
     7   6    -0.03  -0.02  -0.18    -0.03   0.02   0.11    -0.03   0.02   0.03
     8   1    -0.03   0.00  -0.23    -0.03   0.04   0.10    -0.03   0.03   0.02
     9   1     0.04   0.06   0.10    -0.00   0.01  -0.06     0.01   0.06   0.17
    10   1     0.04   0.05   0.17    -0.00  -0.02  -0.09     0.01   0.06   0.24
    11   6     0.00   0.05  -0.07    -0.01   0.02   0.01    -0.02   0.03  -0.06
    12   6     0.02   0.23  -0.04    -0.04   0.00  -0.01    -0.15   0.12  -0.08
    13   6     0.01  -0.08   0.06     0.07  -0.01  -0.02     0.09  -0.06  -0.05
    14   1    -0.00   0.01  -0.19    -0.02   0.01  -0.00    -0.01  -0.00  -0.16
    15   1     0.02   0.27   0.07    -0.06  -0.00  -0.01    -0.15   0.16   0.02
    16   1     0.02   0.24  -0.02    -0.04   0.00  -0.02    -0.15   0.09  -0.18
    17   1     0.03   0.30  -0.14    -0.06  -0.01   0.01    -0.23   0.18  -0.10
    18   8     0.09  -0.16   0.18     0.28  -0.35   0.06     0.07  -0.06  -0.10
    19   8    -0.08  -0.10   0.01    -0.09   0.36  -0.15     0.20  -0.14   0.02
    20   1    -0.12  -0.02  -0.09    -0.20   0.58  -0.21     0.20  -0.13   0.06
    21   6    -0.03  -0.03  -0.13    -0.03  -0.00   0.09    -0.04  -0.01  -0.03
    22   6    -0.01  -0.01  -0.01    -0.02  -0.02   0.02    -0.03  -0.01  -0.02
    23   6     0.01   0.01   0.06    -0.02  -0.02  -0.03    -0.01   0.01   0.08
    24   8    -0.01  -0.02   0.03    -0.03  -0.04  -0.01    -0.04  -0.04  -0.14
    25   6     0.02  -0.00   0.17    -0.02  -0.06  -0.10    -0.03  -0.06  -0.23
    26   1    -0.05  -0.03  -0.27    -0.03   0.03   0.16    -0.04   0.02   0.02
    27   1    -0.04  -0.04  -0.19    -0.04   0.00   0.12    -0.05  -0.02  -0.09
    28   1     0.03   0.02   0.16    -0.01  -0.03  -0.08    -0.00   0.01   0.09
    29   1     0.06   0.09   0.20    -0.04  -0.11  -0.11    -0.14  -0.06  -0.19
    30   1     0.02  -0.01   0.19    -0.02  -0.07  -0.11    -0.04  -0.09  -0.35
    31   1    -0.01  -0.07   0.23     0.01  -0.01  -0.14     0.09  -0.06  -0.21
                      4                      5                      6
                      A                      A                      A
 Frequencies --     90.6615               121.1625               144.1336
 Red. masses --      3.9827                 4.3007                 4.3281
 Frc consts  --      0.0193                 0.0372                 0.0530
 IR Inten    --      3.4036                 0.0874                 0.1758
 RamAct Fr= 1--      0.9361                 0.3767                 0.8781
  Dep-P Fr= 1--      0.7098                 0.4697                 0.6757
  Dep-U Fr= 1--      0.8302                 0.6392                 0.8065
 Alpha2 Fr= 1--      0.0007                 0.0021                 0.0012
 Beta2  Fr= 1--      0.1295                 0.0401                 0.1180
 AlphaG Fr= 1--     -0.0014                -0.0082                -0.0083
 Gamma2 Fr= 1--     -0.5926                -0.0530                 1.6739
 Delta2 Fr= 1--     -0.3450                 0.1939                 1.2177
 Raman1 Fr= 1--       3.744                  1.507                  3.512
 ROA1   Fr= 1--     -67.926                  1.122                199.662
 CID1   Fr= 1--     -18.141                  0.744                 56.846
 Raman2 Fr= 1--       1.554                  0.482                  1.416
 ROA2   Fr= 1--     -11.462                 -2.822                 30.432
 CID2   Fr= 1--      -7.374                 -5.860                 21.486
 Raman3 Fr= 1--       3.109                  0.963                  2.833
 ROA3   Fr= 1--     -67.926                  1.122                199.662
 CID3   Fr= 1--     -21.850                  1.165                 70.485
 RC180  Fr= 1--       0.660                  0.278                  0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.04   0.08  -0.10    -0.01  -0.09  -0.10
     2   6    -0.02   0.00  -0.09    -0.02   0.07  -0.06    -0.03  -0.09  -0.11
     3   6    -0.01   0.05   0.12    -0.03   0.10  -0.10    -0.01  -0.07  -0.00
     4   6    -0.01   0.05   0.09    -0.02   0.11  -0.03     0.01  -0.04   0.10
     5   6    -0.02   0.02  -0.03    -0.02   0.11  -0.01     0.00  -0.05   0.07
     6   6    -0.02  -0.00  -0.11    -0.01   0.09  -0.04    -0.01  -0.07  -0.05
     7   6    -0.04   0.01  -0.00    -0.10   0.05  -0.09     0.01  -0.08  -0.13
     8   1    -0.01   0.07   0.20    -0.04   0.10  -0.12    -0.02  -0.07  -0.01
     9   1    -0.01   0.02  -0.07    -0.00   0.12   0.02     0.01  -0.04   0.14
    10   1    -0.02  -0.02  -0.20    -0.00   0.09  -0.02    -0.00  -0.08  -0.07
    11   6    -0.01   0.02   0.06    -0.00   0.00   0.05     0.00   0.03   0.06
    12   6    -0.07  -0.01   0.04     0.12  -0.19   0.06    -0.13   0.14   0.03
    13   6     0.08  -0.01   0.02     0.06  -0.03   0.03     0.05   0.04   0.03
    14   1    -0.03   0.01   0.05    -0.12  -0.01   0.15     0.07   0.03  -0.01
    15   1    -0.04   0.00   0.05     0.28  -0.18  -0.06    -0.19   0.15   0.14
    16   1    -0.07  -0.07  -0.02     0.12  -0.34   0.14    -0.13   0.18  -0.07
    17   1    -0.14   0.01   0.06     0.07  -0.20   0.11    -0.17   0.17   0.02
    18   8     0.08  -0.03  -0.05     0.06  -0.05  -0.00     0.04   0.02  -0.03
    19   8     0.17  -0.01   0.07     0.12  -0.07   0.06     0.12   0.07   0.06
    20   1     0.16   0.01   0.13     0.11  -0.04   0.09     0.12   0.06   0.11
    21   6    -0.05  -0.02  -0.09    -0.09   0.02   0.01     0.02  -0.04  -0.04
    22   6    -0.04  -0.03  -0.12    -0.05   0.01   0.06     0.01  -0.01   0.03
    23   6    -0.03  -0.02  -0.15    -0.01   0.03  -0.00    -0.03  -0.05  -0.09
    24   8    -0.04  -0.04  -0.11    -0.05  -0.05   0.18     0.03   0.10   0.23
    25   6     0.00   0.02   0.26     0.01  -0.15  -0.07    -0.08   0.10  -0.09
    26   1    -0.05   0.03   0.06    -0.14   0.07  -0.13     0.04  -0.10  -0.17
    27   1    -0.05  -0.02  -0.09    -0.12   0.01   0.04     0.04  -0.02  -0.01
    28   1    -0.02  -0.04  -0.20     0.04   0.02   0.03    -0.06  -0.04  -0.07
    29   1     0.19   0.21   0.29     0.01  -0.33  -0.15    -0.09  -0.24  -0.23
    30   1     0.01   0.03   0.40    -0.01  -0.22  -0.04    -0.05   0.20   0.05
    31   1    -0.16  -0.15   0.38     0.09   0.01  -0.21    -0.19   0.33  -0.33
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.2079               188.3465               218.4087
 Red. masses --      3.3711                 3.4736                 1.0807
 Frc consts  --      0.0659                 0.0726                 0.0304
 IR Inten    --      0.5494                 1.9241                 0.6819
 RamAct Fr= 1--      4.0517                 2.0163                 0.3739
  Dep-P Fr= 1--      0.3457                 0.3251                 0.4501
  Dep-U Fr= 1--      0.5138                 0.4907                 0.6208
 Alpha2 Fr= 1--      0.0361                 0.0192                 0.0023
 Beta2  Fr= 1--      0.3469                 0.1649                 0.0387
 AlphaG Fr= 1--      0.0194                 0.0117                 0.0005
 Gamma2 Fr= 1--      1.9450                -3.3087                 0.0263
 Delta2 Fr= 1--     -0.9895                -0.0646                -0.0272
 Raman1 Fr= 1--      16.207                  8.065                  1.496
 ROA1   Fr= 1--     155.059               -319.700                  1.653
 CID1   Fr= 1--       9.568                -39.640                  1.105
 Raman2 Fr= 1--       4.163                  1.979                  0.464
 ROA2   Fr= 1--      54.597                -78.892                  0.849
 CID2   Fr= 1--      13.114                -39.873                  1.829
 Raman3 Fr= 1--       8.326                  3.957                  0.929
 ROA3   Fr= 1--     155.059               -319.700                  1.653
 CID3   Fr= 1--      18.623                -80.791                  1.780
 RC180  Fr= 1--       0.028                 -0.019                  0.242
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.05    -0.02  -0.04  -0.07    -0.00   0.01   0.01
     2   6     0.02   0.04  -0.09    -0.02  -0.04  -0.07     0.00   0.00   0.00
     3   6     0.02  -0.00  -0.02    -0.03  -0.02  -0.15    -0.00   0.01   0.01
     4   6    -0.02  -0.02   0.06     0.02   0.02  -0.04     0.00   0.01   0.00
     5   6    -0.02   0.01   0.16     0.04   0.05   0.16     0.01   0.01  -0.00
     6   6    -0.02   0.04   0.05     0.03   0.01   0.10     0.01   0.01   0.00
     7   6     0.04   0.06   0.02    -0.02  -0.01   0.12    -0.01   0.00  -0.00
     8   1     0.07  -0.03  -0.06    -0.06  -0.02  -0.24    -0.00   0.01   0.01
     9   1    -0.03   0.02   0.28     0.06   0.09   0.34     0.01   0.01  -0.00
    10   1    -0.07   0.07   0.09     0.07   0.01   0.21     0.01   0.00  -0.00
    11   6    -0.04  -0.04   0.01     0.03   0.02  -0.03     0.00   0.02  -0.01
    12   6    -0.16  -0.00  -0.02     0.11  -0.01  -0.01    -0.02  -0.03  -0.03
    13   6    -0.05  -0.03  -0.00     0.03   0.01  -0.01     0.01   0.01  -0.00
    14   1    -0.01  -0.04  -0.03     0.00   0.02  -0.01     0.02   0.03   0.01
    15   1    -0.22  -0.01   0.02     0.16  -0.00  -0.05    -0.51  -0.28  -0.25
    16   1    -0.16   0.03  -0.12     0.12  -0.03   0.07    -0.01   0.51   0.06
    17   1    -0.19  -0.00   0.00     0.15  -0.01  -0.02     0.42  -0.37   0.10
    18   8    -0.06  -0.02  -0.00     0.03   0.01   0.01     0.02   0.00   0.03
    19   8    -0.08  -0.01  -0.02     0.02  -0.02  -0.01     0.00  -0.03   0.00
    20   1    -0.08  -0.02  -0.03     0.02  -0.02  -0.03    -0.00  -0.01  -0.02
    21   6     0.04   0.07   0.05    -0.01  -0.01   0.20    -0.01  -0.00  -0.01
    22   6     0.04   0.05  -0.05    -0.03  -0.04  -0.03    -0.00  -0.00  -0.00
    23   6     0.03   0.04  -0.17    -0.04  -0.07  -0.15    -0.00  -0.00  -0.01
    24   8     0.04  -0.03   0.04    -0.03   0.01  -0.08    -0.00   0.00   0.01
    25   6     0.20  -0.14   0.02    -0.13   0.09   0.03    -0.01   0.01  -0.00
    26   1     0.05   0.07   0.08    -0.02   0.01   0.24    -0.01   0.00  -0.01
    27   1     0.05   0.09   0.15    -0.00   0.03   0.39    -0.01  -0.01  -0.02
    28   1     0.04   0.02  -0.24    -0.05  -0.09  -0.25     0.00  -0.00  -0.01
    29   1     0.43  -0.24  -0.09    -0.06   0.09   0.01     0.01  -0.03  -0.02
    30   1     0.18  -0.24   0.27    -0.09   0.21   0.14    -0.01   0.02   0.04
    31   1     0.12  -0.02  -0.11    -0.30   0.06   0.03    -0.05   0.03  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    231.0049               259.1101               286.9122
 Red. masses --      1.4984                 2.4925                 2.7928
 Frc consts  --      0.0471                 0.0986                 0.1355
 IR Inten    --      2.2999                 8.1307                 0.1718
 RamAct Fr= 1--      1.7721                 0.9435                 1.2708
  Dep-P Fr= 1--      0.6583                 0.7481                 0.5199
  Dep-U Fr= 1--      0.7939                 0.8559                 0.6841
 Alpha2 Fr= 1--      0.0029                 0.0000                 0.0057
 Beta2  Fr= 1--      0.2345                 0.1346                 0.1449
 AlphaG Fr= 1--     -0.0003                -0.0005                -0.0075
 Gamma2 Fr= 1--      0.6734                -1.0166                 0.6302
 Delta2 Fr= 1--      0.0401                 0.3117                -0.0669
 Raman1 Fr= 1--       7.088                  3.774                  5.083
 ROA1   Fr= 1--      65.925                -87.623                 58.356
 CID1   Fr= 1--       9.300                -23.217                 11.480
 Raman2 Fr= 1--       2.814                  1.615                  1.739
 ROA2   Fr= 1--      15.840                -26.893                 15.660
 CID2   Fr= 1--       5.629                -16.651                  9.006
 Raman3 Fr= 1--       5.628                  3.230                  3.477
 ROA3   Fr= 1--      65.925                -87.623                 58.356
 CID3   Fr= 1--      11.714                -27.126                 16.781
 RC180  Fr= 1--       0.588                  0.712                  0.368
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.08    -0.02  -0.02   0.00     0.00   0.02   0.08
     2   6     0.01   0.01   0.04    -0.04   0.01   0.05    -0.02   0.00  -0.04
     3   6     0.01   0.03   0.08    -0.02  -0.07  -0.05     0.01   0.01   0.14
     4   6     0.01   0.02  -0.00    -0.03  -0.08  -0.04     0.01  -0.02   0.02
     5   6     0.02   0.02  -0.00    -0.07  -0.06  -0.03    -0.02   0.00   0.08
     6   6     0.02   0.01   0.04    -0.07  -0.01   0.02    -0.02   0.02   0.05
     7   6    -0.01  -0.00   0.01     0.00   0.00   0.01    -0.01   0.01   0.01
     8   1     0.00   0.04   0.11    -0.00  -0.08  -0.07     0.02   0.02   0.20
     9   1     0.03   0.02  -0.04    -0.10  -0.09  -0.05    -0.03  -0.01   0.11
    10   1     0.04   0.01   0.04    -0.09   0.00   0.03    -0.03   0.02   0.07
    11   6     0.01   0.00  -0.03    -0.01  -0.04   0.02     0.02  -0.04  -0.04
    12   6     0.04  -0.03  -0.03     0.14   0.12   0.09     0.17   0.07   0.02
    13   6    -0.01  -0.01  -0.02     0.00  -0.02   0.01    -0.00  -0.04  -0.04
    14   1    -0.01  -0.00  -0.02     0.01  -0.04  -0.02     0.01  -0.05  -0.07
    15   1     0.14   0.01  -0.02     0.03   0.09   0.11     0.15   0.07   0.04
    16   1     0.04  -0.14  -0.02     0.15   0.32   0.26     0.18   0.17   0.20
    17   1    -0.03   0.02  -0.04     0.37   0.10  -0.04     0.34   0.08  -0.10
    18   8    -0.01   0.01   0.02    -0.01  -0.03  -0.09    -0.03  -0.01  -0.06
    19   8    -0.05  -0.03  -0.04     0.08   0.06   0.03    -0.03  -0.01  -0.07
    20   1    -0.05  -0.03  -0.07     0.09   0.04   0.12    -0.02  -0.05  -0.08
    21   6    -0.01  -0.03  -0.07    -0.00   0.04   0.01    -0.02  -0.00  -0.09
    22   6    -0.00  -0.02  -0.04    -0.03   0.05  -0.00    -0.03   0.01  -0.06
    23   6     0.00  -0.02  -0.02    -0.04   0.05   0.05    -0.03  -0.01  -0.15
    24   8     0.00   0.00   0.03    -0.03   0.00  -0.06    -0.02   0.02   0.14
    25   6    -0.04   0.02  -0.01     0.08  -0.06   0.00    -0.00  -0.02   0.01
    26   1    -0.02  -0.00  -0.01     0.03  -0.01   0.01    -0.01   0.01   0.03
    27   1    -0.02  -0.05  -0.14     0.03   0.06   0.01    -0.01  -0.00  -0.13
    28   1     0.01  -0.03  -0.06    -0.06   0.06   0.03    -0.03  -0.01  -0.16
    29   1     0.29  -0.30  -0.25     0.39  -0.20  -0.15    -0.30   0.13   0.16
    30   1     0.01   0.15   0.51     0.07  -0.09   0.38    -0.04  -0.12  -0.40
    31   1    -0.45   0.24  -0.29    -0.15   0.07  -0.16     0.35  -0.10   0.16
                     13                     14                     15
                      A                      A                      A
 Frequencies --    331.7930               358.9141               400.9435
 Red. masses --      4.5733                 5.4237                 5.1285
 Frc consts  --      0.2966                 0.4117                 0.4857
 IR Inten    --      4.6755                 4.2088                 0.5973
 RamAct Fr= 1--      1.0844                12.5644                 0.9861
  Dep-P Fr= 1--      0.1719                 0.1588                 0.6140
  Dep-U Fr= 1--      0.2934                 0.2741                 0.7608
 Alpha2 Fr= 1--      0.0159                 0.1899                 0.0025
 Beta2  Fr= 1--      0.0530                 0.5741                 0.1250
 AlphaG Fr= 1--      0.0328                -0.0661                 0.0164
 Gamma2 Fr= 1--      1.2019                -2.9319                -1.8854
 Delta2 Fr= 1--      0.2061                -0.3442                -0.2426
 Raman1 Fr= 1--       4.338                 50.258                  3.944
 ROA1   Fr= 1--     121.974               -292.472               -188.761
 CID1   Fr= 1--      28.119                 -5.819                -47.856
 Raman2 Fr= 1--       0.636                  6.889                  1.500
 ROA2   Fr= 1--      27.196                -67.611                -43.309
 CID2   Fr= 1--      42.740                 -9.814                -28.863
 Raman3 Fr= 1--       1.273                 13.778                  3.001
 ROA3   Fr= 1--     121.974               -292.472               -188.761
 CID3   Fr= 1--      95.845                -21.227                -62.901
 RC180  Fr= 1--      -0.413                 -0.452                  0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.12   0.05    -0.09  -0.07   0.06    -0.05  -0.06  -0.11
     2   6    -0.12  -0.10   0.03    -0.01  -0.13   0.04    -0.03  -0.07  -0.08
     3   6    -0.10  -0.08   0.03    -0.15   0.10  -0.02    -0.04   0.07   0.18
     4   6    -0.01  -0.02  -0.01    -0.11   0.15  -0.08     0.01   0.11   0.20
     5   6    -0.03  -0.03   0.01     0.04   0.10  -0.04     0.03   0.08   0.11
     6   6    -0.05  -0.08   0.03     0.07  -0.07   0.06     0.02  -0.04  -0.12
     7   6     0.00  -0.07   0.02     0.00  -0.04   0.04    -0.03  -0.06  -0.19
     8   1    -0.17  -0.04   0.03    -0.25   0.16  -0.02    -0.10   0.12   0.26
     9   1    -0.03  -0.04   0.01     0.18   0.18  -0.07     0.07   0.11   0.12
    10   1     0.01  -0.11   0.05     0.17  -0.12   0.10     0.07  -0.09  -0.22
    11   6     0.04   0.12  -0.07    -0.18   0.12  -0.01     0.01  -0.01   0.02
    12   6     0.03  -0.07  -0.12     0.02  -0.01   0.04     0.07   0.03   0.06
    13   6     0.08   0.12  -0.02    -0.14   0.01   0.01     0.03  -0.05  -0.06
    14   1     0.09   0.16  -0.01    -0.26   0.11   0.05    -0.05  -0.04   0.01
    15   1     0.21  -0.05  -0.23     0.08  -0.05  -0.13     0.07   0.04   0.08
    16   1     0.03  -0.29  -0.15     0.03  -0.03   0.22     0.08   0.10   0.19
    17   1    -0.12  -0.08  -0.02     0.12  -0.09   0.07     0.19   0.04  -0.02
    18   8     0.14   0.11   0.17    -0.09  -0.15  -0.10     0.01   0.00  -0.07
    19   8     0.03  -0.05  -0.03     0.03   0.01   0.10    -0.10  -0.09  -0.15
    20   1     0.01  -0.00  -0.15    -0.03   0.13   0.19    -0.07  -0.15  -0.27
    21   6     0.00   0.06  -0.03     0.04  -0.04  -0.03     0.00   0.03   0.16
    22   6    -0.05   0.10  -0.03     0.12  -0.05  -0.04     0.02   0.03   0.17
    23   6    -0.13   0.03  -0.02     0.01  -0.12  -0.03    -0.02  -0.01   0.12
    24   8    -0.05   0.10   0.00     0.16   0.08   0.01     0.01   0.03  -0.13
    25   6     0.17  -0.04  -0.00     0.18   0.10  -0.03     0.07   0.02  -0.02
    26   1     0.11  -0.12   0.04     0.08  -0.08   0.06    -0.02  -0.11  -0.35
    27   1     0.07   0.11  -0.05    -0.02  -0.08  -0.03     0.00   0.03   0.21
    28   1    -0.21   0.08  -0.03    -0.05  -0.09  -0.04    -0.05  -0.01   0.07
    29   1     0.28   0.01  -0.01     0.15   0.10  -0.01     0.22   0.05  -0.05
    30   1     0.11  -0.27   0.00     0.17   0.06  -0.08     0.06  -0.02   0.12
    31   1     0.33   0.00  -0.01     0.25   0.10  -0.02    -0.00   0.01  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    414.5702               465.6080               481.8818
 Red. masses --      3.2747                 4.0224                 4.9630
 Frc consts  --      0.3316                 0.5138                 0.6790
 IR Inten    --      0.3533                21.5460                 4.0466
 RamAct Fr= 1--      4.3380                 0.6759                 3.3252
  Dep-P Fr= 1--      0.7500                 0.6005                 0.1868
  Dep-U Fr= 1--      0.8571                 0.7504                 0.3148
 Alpha2 Fr= 1--      0.0000                 0.0019                 0.0468
 Beta2  Fr= 1--      0.6197                 0.0845                 0.1744
 AlphaG Fr= 1--     -0.0002                 0.0186                 0.0110
 Gamma2 Fr= 1--      0.4413                -0.6516                 0.9470
 Delta2 Fr= 1--     -0.3430                -0.0944                -0.0946
 Raman1 Fr= 1--      17.352                  2.703                 13.301
 ROA1   Fr= 1--      31.386                -65.571                 87.880
 CID1   Fr= 1--       1.809                -24.255                  6.607
 Raman2 Fr= 1--       7.437                  1.014                  2.093
 ROA2   Fr= 1--      13.334                -14.883                 23.484
 CID2   Fr= 1--       1.793                -14.672                 11.218
 Raman3 Fr= 1--      14.873                  2.029                  4.187
 ROA3   Fr= 1--      31.386                -65.571                 87.880
 CID3   Fr= 1--       2.110                -32.322                 20.990
 RC180  Fr= 1--       0.714                  0.501                 -0.370
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.06    -0.00   0.08  -0.01    -0.06   0.09  -0.01
     2   6     0.01   0.02   0.05     0.03   0.05  -0.06    -0.04   0.08   0.05
     3   6     0.02   0.01   0.13    -0.03  -0.06   0.07    -0.06   0.00  -0.06
     4   6    -0.01  -0.03  -0.06    -0.10  -0.10   0.06    -0.07  -0.03   0.00
     5   6    -0.02  -0.05  -0.17    -0.10  -0.12   0.12    -0.15  -0.01  -0.07
     6   6     0.01   0.04   0.21    -0.11  -0.02  -0.06    -0.13   0.08   0.06
     7   6    -0.01  -0.03  -0.20     0.01   0.09  -0.05    -0.07   0.08   0.01
     8   1     0.05   0.04   0.35     0.09  -0.13   0.05    -0.02  -0.02  -0.07
     9   1    -0.04  -0.08  -0.33    -0.13  -0.13   0.20    -0.22  -0.07  -0.14
    10   1     0.01   0.09   0.41    -0.26   0.05  -0.11    -0.21   0.12   0.06
    11   6    -0.01   0.01  -0.02    -0.11   0.16  -0.09     0.01  -0.09   0.07
    12   6    -0.01  -0.01  -0.03     0.09   0.00  -0.10    -0.03   0.01   0.12
    13   6    -0.02   0.01   0.02    -0.08   0.13  -0.05     0.14  -0.01  -0.03
    14   1     0.01   0.02  -0.01     0.04   0.23  -0.03    -0.05  -0.10   0.07
    15   1    -0.01  -0.02  -0.04     0.29  -0.00  -0.30    -0.08   0.05   0.26
    16   1    -0.01  -0.03  -0.05     0.10  -0.15   0.13    -0.03   0.09   0.10
    17   1    -0.04  -0.02  -0.00     0.14  -0.05  -0.07    -0.01   0.09   0.01
    18   8    -0.00  -0.01   0.02     0.03  -0.03   0.04     0.10   0.12   0.06
    19   8     0.03   0.03   0.04     0.06  -0.04   0.05    -0.01  -0.03  -0.14
    20   1     0.03   0.03   0.09    -0.11   0.29  -0.05     0.11  -0.25  -0.21
    21   6     0.01   0.03   0.16     0.02   0.02   0.01    -0.04  -0.12   0.02
    22   6     0.00   0.01   0.05     0.10  -0.03   0.06     0.08  -0.16  -0.02
    23   6    -0.00  -0.02  -0.14     0.08  -0.00   0.03     0.00  -0.17  -0.01
    24   8    -0.00  -0.02  -0.02     0.11  -0.11  -0.02     0.16   0.02   0.01
    25   6    -0.02  -0.01   0.00    -0.06   0.01   0.00     0.12   0.11  -0.03
    26   1    -0.03  -0.06  -0.38    -0.01   0.09  -0.11    -0.16   0.14   0.04
    27   1     0.02   0.05   0.27    -0.06  -0.04  -0.01    -0.22  -0.24   0.09
    28   1    -0.01  -0.06  -0.35     0.09  -0.01   0.02     0.09  -0.21  -0.02
    29   1    -0.04   0.03   0.03    -0.16  -0.03   0.01     0.08   0.09  -0.02
    30   1    -0.02   0.00  -0.03     0.00   0.21  -0.01     0.13   0.13  -0.06
    31   1    -0.01  -0.04   0.04    -0.20  -0.04   0.01     0.12   0.10  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    486.1414               509.7037               533.8700
 Red. masses --      2.5453                 3.9595                 3.2844
 Frc consts  --      0.3544                 0.6061                 0.5515
 IR Inten    --     15.4270                13.0543                 9.8064
 RamAct Fr= 1--      0.1382                 4.1334                 3.0821
  Dep-P Fr= 1--      0.6911                 0.6451                 0.6679
  Dep-U Fr= 1--      0.8173                 0.7843                 0.8009
 Alpha2 Fr= 1--      0.0001                 0.0078                 0.0045
 Beta2  Fr= 1--      0.0188                 0.5403                 0.4114
 AlphaG Fr= 1--      0.0003                 0.0343                 0.0482
 Gamma2 Fr= 1--     -0.2710                 0.0828                -1.4580
 Delta2 Fr= 1--      0.0173                 0.6658                -0.1924
 Raman1 Fr= 1--       0.553                 16.534                 12.328
 ROA1   Fr= 1--     -25.464                 29.254               -146.127
 CID1   Fr= 1--     -46.063                  1.769                -11.853
 Raman2 Fr= 1--       0.226                  6.483                  4.937
 ROA2   Fr= 1--      -6.643                 -3.339                -33.453
 CID2   Fr= 1--     -29.404                 -0.515                 -6.776
 Raman3 Fr= 1--       0.452                 12.967                  9.873
 ROA3   Fr= 1--     -25.464                 29.254               -146.127
 CID3   Fr= 1--     -56.358                  2.256                -14.800
 RC180  Fr= 1--       0.635                  0.569                  0.602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.21    -0.03  -0.04  -0.02     0.03  -0.08   0.02
     2   6     0.01   0.03   0.18     0.04  -0.04   0.07    -0.07  -0.03   0.01
     3   6    -0.01  -0.02  -0.11    -0.05  -0.01  -0.06    -0.01   0.08  -0.01
     4   6     0.01   0.01   0.03    -0.04   0.02   0.03    -0.04   0.09  -0.02
     5   6     0.01   0.01   0.05     0.03  -0.05  -0.09    -0.13   0.14   0.00
     6   6     0.00  -0.02  -0.10     0.05  -0.07   0.08    -0.12  -0.00  -0.00
     7   6    -0.01  -0.02  -0.10     0.04   0.02   0.02     0.16  -0.06  -0.01
     8   1    -0.03  -0.08  -0.44    -0.07  -0.01  -0.08    -0.11   0.13   0.01
     9   1     0.01   0.00  -0.03     0.09  -0.03  -0.20    -0.11   0.15   0.00
    10   1    -0.01  -0.08  -0.41     0.06  -0.08   0.09    -0.06  -0.04  -0.02
    11   6     0.00  -0.00   0.00    -0.05   0.09   0.12    -0.03  -0.04  -0.03
    12   6    -0.00  -0.00   0.01    -0.05   0.01   0.20     0.00  -0.00  -0.03
    13   6     0.00  -0.00   0.00     0.02   0.10  -0.06     0.04  -0.05   0.01
    14   1    -0.00  -0.01   0.00    -0.03   0.14   0.25    -0.13  -0.09  -0.09
    15   1     0.00   0.00   0.01    -0.02   0.02   0.20     0.00   0.00  -0.02
    16   1    -0.00   0.00   0.00    -0.05   0.01   0.24     0.01   0.02   0.01
    17   1    -0.00   0.00   0.00    -0.04   0.03   0.18     0.04   0.00  -0.06
    18   8    -0.00   0.00  -0.00     0.08   0.00  -0.06     0.00   0.03   0.05
    19   8    -0.00  -0.01   0.00    -0.05  -0.15  -0.10     0.00   0.07  -0.03
    20   1    -0.03   0.06  -0.02    -0.19   0.13  -0.44     0.30  -0.51   0.25
    21   6     0.00   0.01   0.05     0.03   0.14  -0.03     0.16   0.02  -0.01
    22   6     0.00   0.02   0.07     0.04   0.08  -0.09     0.06   0.04   0.00
    23   6    -0.01  -0.02  -0.12     0.04   0.09  -0.05    -0.03   0.02   0.00
    24   8    -0.01   0.00  -0.01     0.02  -0.10   0.04     0.06  -0.12   0.01
    25   6    -0.00  -0.00   0.00    -0.10  -0.06   0.02    -0.09  -0.07   0.02
    26   1    -0.03  -0.09  -0.45     0.16  -0.02   0.10     0.26  -0.12  -0.03
    27   1    -0.00  -0.01  -0.12     0.09   0.19   0.03     0.25   0.07  -0.05
    28   1    -0.04  -0.08  -0.49    -0.07   0.15  -0.03    -0.11   0.05  -0.02
    29   1    -0.01   0.03   0.02    -0.22  -0.09   0.04    -0.20  -0.10   0.04
    30   1    -0.01  -0.02  -0.04    -0.06   0.10  -0.03    -0.04   0.12  -0.02
    31   1     0.02  -0.02   0.03    -0.18  -0.08   0.03    -0.21  -0.10   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    540.3178               578.2447               604.1917
 Red. masses --      2.9527                 1.7093                 2.7736
 Frc consts  --      0.5079                 0.3367                 0.5965
 IR Inten    --     11.6925                42.3043                 2.1626
 RamAct Fr= 1--     14.4406                 1.7058                 3.1685
  Dep-P Fr= 1--      0.2786                 0.2533                 0.4998
  Dep-U Fr= 1--      0.4358                 0.4042                 0.6665
 Alpha2 Fr= 1--      0.1578                 0.0200                 0.0157
 Beta2  Fr= 1--      1.0488                 0.1149                 0.3520
 AlphaG Fr= 1--     -0.3634                 0.1827                -0.0221
 Gamma2 Fr= 1--      2.6289                 1.3407                -0.1239
 Delta2 Fr= 1--      0.4425                 0.2655                 0.1415
 Raman1 Fr= 1--      57.762                  6.823                 12.674
 ROA1   Fr= 1--     266.533                137.201                 -7.363
 CID1   Fr= 1--       4.614                 20.108                 -0.581
 Raman2 Fr= 1--      12.585                  1.379                  4.223
 ROA2   Fr= 1--      59.554                 30.052                 -4.104
 CID2   Fr= 1--       4.732                 21.792                 -0.972
 Raman3 Fr= 1--      25.171                  2.758                  8.447
 ROA3   Fr= 1--     266.533                137.201                 -7.363
 CID3   Fr= 1--      10.589                 49.746                 -0.872
 RC180  Fr= 1--      -0.128                 -0.192                  0.333
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.03  -0.01    -0.05  -0.01   0.01     0.02   0.02   0.09
     2   6    -0.05   0.06  -0.00    -0.03  -0.04  -0.02     0.01  -0.03  -0.16
     3   6     0.10   0.03  -0.01    -0.04   0.02   0.02     0.01   0.01   0.00
     4   6     0.03   0.02  -0.00     0.00   0.02  -0.04    -0.03  -0.03  -0.19
     5   6    -0.09   0.08  -0.02    -0.01   0.03  -0.00     0.01  -0.01   0.01
     6   6    -0.09   0.09  -0.00    -0.00  -0.02   0.00     0.01  -0.01  -0.00
     7   6     0.12  -0.09   0.01    -0.02   0.02  -0.00     0.00  -0.00   0.06
     8   1     0.08   0.04  -0.03    -0.08   0.04   0.02     0.04   0.04   0.21
     9   1    -0.15   0.05  -0.01     0.01   0.06   0.06     0.05   0.07   0.38
    10   1    -0.08   0.09   0.02     0.04  -0.03   0.06     0.02   0.06   0.36
    11   6     0.00   0.06   0.03     0.04  -0.12  -0.02    -0.02   0.00   0.03
    12   6    -0.01   0.01   0.03     0.00  -0.01  -0.03    -0.04  -0.00   0.09
    13   6    -0.04   0.08  -0.02     0.05  -0.08   0.03     0.00   0.05  -0.02
    14   1     0.06   0.10   0.11    -0.05  -0.16  -0.06    -0.03   0.02   0.11
    15   1     0.01   0.01   0.01    -0.07   0.01   0.09    -0.08   0.00   0.14
    16   1    -0.01  -0.01   0.03     0.00   0.06  -0.09    -0.05   0.02   0.04
    17   1    -0.02  -0.00   0.06     0.01   0.04  -0.09    -0.07   0.02   0.07
    18   8     0.01  -0.02  -0.05    -0.04   0.06   0.03     0.04   0.01   0.01
    19   8     0.00  -0.09   0.03     0.05  -0.00   0.03     0.01  -0.02  -0.03
    20   1    -0.37   0.64  -0.33    -0.36   0.80  -0.24     0.06  -0.12  -0.02
    21   6     0.12  -0.15   0.02    -0.02   0.06  -0.01    -0.01  -0.02  -0.05
    22   6    -0.06  -0.05   0.00     0.04   0.03   0.02     0.01   0.04   0.24
    23   6    -0.06  -0.05   0.01    -0.01   0.00   0.00     0.01   0.00  -0.02
    24   8    -0.07   0.05  -0.00     0.06  -0.05  -0.00    -0.02   0.00  -0.05
    25   6     0.01  -0.02   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1     0.06  -0.06   0.03     0.03  -0.01  -0.03    -0.03  -0.05  -0.25
    27   1     0.19  -0.10   0.02    -0.04   0.04  -0.05    -0.03  -0.10  -0.53
    28   1     0.04  -0.10   0.03    -0.07   0.04  -0.01     0.01  -0.05  -0.26
    29   1     0.08   0.00  -0.01    -0.06  -0.02   0.01     0.04   0.03  -0.00
    30   1    -0.02  -0.13   0.02     0.02   0.09  -0.01    -0.01  -0.02   0.02
    31   1     0.08   0.01  -0.01    -0.07  -0.02   0.01    -0.01  -0.02   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    636.0611               688.6525               694.7396
 Red. masses --      5.3781                 5.2760                 3.7411
 Frc consts  --      1.2820                 1.4742                 1.0639
 IR Inten    --      2.4628                 4.1390                10.8455
 RamAct Fr= 1--      0.6794                 2.7304                 0.1518
  Dep-P Fr= 1--      0.7488                 0.1552                 0.2793
  Dep-U Fr= 1--      0.8564                 0.2687                 0.4366
 Alpha2 Fr= 1--      0.0000                 0.0417                 0.0017
 Beta2  Fr= 1--      0.0970                 0.1223                 0.0110
 AlphaG Fr= 1--      0.0018                -0.1447                -0.0135
 Gamma2 Fr= 1--      0.3141                -1.1975                -0.0980
 Delta2 Fr= 1--      0.1280                -0.1003                 0.0026
 Raman1 Fr= 1--       2.718                 10.922                  0.607
 ROA1   Fr= 1--      34.247               -118.172                 -9.321
 CID1   Fr= 1--      12.602                -10.820                -15.351
 Raman2 Fr= 1--       1.164                  1.467                  0.133
 ROA2   Fr= 1--       6.514                -27.939                 -2.372
 CID2   Fr= 1--       5.598                -19.039                -17.891
 Raman3 Fr= 1--       2.327                  2.935                  0.265
 ROA3   Fr= 1--      34.247               -118.172                 -9.321
 CID3   Fr= 1--      14.716                -40.265                -35.157
 RC180  Fr= 1--       0.713                 -0.463                 -0.127
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.01   0.02    -0.06   0.05   0.06    -0.03   0.01  -0.11
     2   6    -0.18   0.03  -0.01    -0.05   0.04   0.02    -0.01   0.01  -0.03
     3   6    -0.10  -0.17   0.02    -0.09  -0.09   0.08    -0.06  -0.05  -0.05
     4   6     0.15  -0.05  -0.01    -0.03  -0.06  -0.16    -0.01   0.03   0.25
     5   6     0.06   0.06  -0.03     0.16  -0.01   0.06     0.06  -0.04  -0.08
     6   6     0.03   0.21  -0.03     0.14   0.12  -0.11     0.08   0.07   0.09
     7   6     0.04   0.13  -0.00     0.13   0.14  -0.13     0.09   0.10   0.10
     8   1    -0.18  -0.12   0.06    -0.08  -0.08   0.17    -0.05  -0.10  -0.24
     9   1    -0.13  -0.05   0.05     0.14   0.01   0.28     0.04  -0.11  -0.46
    10   1     0.11   0.18   0.03     0.17   0.12  -0.07     0.07   0.05  -0.01
    11   6     0.20   0.08   0.06    -0.12  -0.06  -0.03    -0.08  -0.00  -0.03
    12   6     0.03   0.01  -0.03    -0.06  -0.02   0.11     0.00   0.00  -0.03
    13   6    -0.00   0.05   0.08    -0.07   0.00  -0.11    -0.01  -0.07  -0.03
    14   1     0.29   0.11   0.08    -0.15  -0.04   0.06    -0.10  -0.03  -0.11
    15   1    -0.10  -0.05  -0.06    -0.02   0.03   0.21     0.13   0.02  -0.10
    16   1     0.01  -0.02  -0.34    -0.05   0.02   0.24     0.02  -0.03   0.20
    17   1    -0.17  -0.07   0.18     0.03   0.07  -0.05     0.13  -0.01  -0.09
    18   8     0.01  -0.08  -0.16    -0.03   0.02   0.14    -0.05   0.02   0.06
    19   8    -0.12  -0.03   0.09     0.12   0.01  -0.10     0.05   0.02  -0.05
    20   1    -0.01  -0.25  -0.03     0.08   0.10   0.14    -0.00   0.13   0.06
    21   6     0.05   0.06  -0.03     0.15  -0.00   0.06     0.07  -0.03  -0.10
    22   6     0.06  -0.00   0.05    -0.02  -0.06  -0.14     0.00   0.02   0.20
    23   6    -0.16  -0.10   0.02    -0.10  -0.09   0.07    -0.04  -0.06  -0.05
    24   8     0.10  -0.09  -0.00    -0.07   0.04   0.02    -0.05   0.02  -0.03
    25   6     0.00  -0.02   0.00    -0.04  -0.05   0.01    -0.02  -0.03   0.00
    26   1     0.10   0.09  -0.06     0.16   0.13  -0.10     0.09   0.10   0.09
    27   1    -0.05  -0.02  -0.12     0.12   0.02   0.31     0.03  -0.10  -0.40
    28   1    -0.24  -0.07  -0.05    -0.06  -0.07   0.26    -0.03  -0.12  -0.30
    29   1    -0.09  -0.04   0.02     0.01  -0.05   0.00     0.03   0.00   0.00
    30   1     0.04   0.14  -0.03    -0.06  -0.13   0.03    -0.04  -0.09   0.02
    31   1    -0.10  -0.05   0.01     0.03  -0.02  -0.00     0.01  -0.03   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    739.1923               778.3293               785.0927
 Red. masses --      5.4954                 3.5966                 2.7592
 Frc consts  --      1.7691                 1.2837                 1.0020
 IR Inten    --      5.1013                 0.8418                 0.3794
 RamAct Fr= 1--     20.0893                41.1558                16.2635
  Dep-P Fr= 1--      0.0469                 0.0760                 0.0900
  Dep-U Fr= 1--      0.0896                 0.1413                 0.1651
 Alpha2 Fr= 1--      0.3998                 0.7638                 0.2918
 Beta2  Fr= 1--      0.3000                 0.9695                 0.4475
 AlphaG Fr= 1--     -0.1992                 0.1918                -0.1875
 Gamma2 Fr= 1--     -2.5934                 2.8024                -0.1501
 Delta2 Fr= 1--     -0.0016                 0.7651                 0.2079
 Raman1 Fr= 1--      80.357                164.623                 65.054
 ROA1   Fr= 1--    -249.016                293.512                 -7.762
 CID1   Fr= 1--      -3.099                  1.783                 -0.119
 Raman2 Fr= 1--       3.599                 11.633                  5.370
 ROA2   Fr= 1--     -62.229                 61.137                 -5.266
 CID2   Fr= 1--     -17.288                  5.255                 -0.981
 Raman3 Fr= 1--       7.199                 23.267                 10.741
 ROA3   Fr= 1--    -249.016                293.512                 -7.762
 CID3   Fr= 1--     -34.591                 12.615                 -0.723
 RC180  Fr= 1--      -0.821                 -0.717                 -0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.10   0.03    -0.01  -0.05   0.15     0.03   0.07   0.17
     2   6     0.05  -0.03  -0.01     0.01   0.07  -0.15    -0.03  -0.09  -0.18
     3   6    -0.06   0.06  -0.01    -0.07  -0.11  -0.00     0.05   0.05  -0.05
     4   6    -0.12   0.01  -0.05    -0.01  -0.01   0.06     0.03   0.03   0.11
     5   6     0.01  -0.11   0.01     0.03  -0.02  -0.07    -0.02  -0.00  -0.07
     6   6    -0.00  -0.15   0.01     0.05   0.19  -0.01    -0.02  -0.09   0.09
     7   6     0.13   0.19  -0.07    -0.04  -0.19   0.01     0.01   0.09  -0.04
     8   1     0.01   0.03   0.04    -0.11  -0.14  -0.21     0.04  -0.02  -0.39
     9   1     0.14  -0.00   0.15    -0.08  -0.06   0.07     0.03   0.02  -0.12
    10   1    -0.06  -0.09   0.14    -0.01   0.28   0.20     0.03  -0.09   0.20
    11   6    -0.05   0.08   0.00    -0.09   0.08  -0.02     0.05  -0.03   0.01
    12   6     0.01   0.01  -0.05    -0.03   0.01   0.02     0.02  -0.00  -0.02
    13   6     0.24  -0.13   0.20     0.09  -0.12   0.06    -0.06   0.05  -0.04
    14   1    -0.23  -0.08  -0.28    -0.17  -0.02  -0.23     0.12   0.02   0.10
    15   1     0.08  -0.05  -0.28     0.13  -0.02  -0.23    -0.03   0.01   0.07
    16   1     0.01  -0.09   0.01    -0.02  -0.11   0.23     0.02   0.05  -0.09
    17   1     0.02  -0.12   0.09     0.06  -0.10   0.10    -0.01   0.04  -0.05
    18   8     0.06   0.09  -0.15    -0.01   0.04  -0.02    -0.01  -0.03   0.02
    19   8    -0.14   0.01   0.10    -0.02   0.02  -0.02     0.02  -0.01  -0.01
    20   1    -0.13  -0.02  -0.33    -0.02   0.03  -0.07     0.03  -0.03   0.08
    21   6     0.13  -0.03   0.02    -0.01  -0.03   0.08     0.01   0.05   0.09
    22   6    -0.01  -0.05  -0.03    -0.02   0.01  -0.06     0.00  -0.02  -0.06
    23   6     0.01  -0.08   0.03     0.07   0.10  -0.02    -0.05  -0.06   0.00
    24   8    -0.12   0.08  -0.00     0.03  -0.02   0.00    -0.01   0.01  -0.00
    25   6    -0.05  -0.05   0.01     0.02   0.02  -0.00    -0.01  -0.01   0.00
    26   1     0.10   0.19  -0.11    -0.02  -0.26  -0.22    -0.03   0.04  -0.38
    27   1     0.05  -0.07   0.06     0.11   0.02  -0.09    -0.08  -0.04  -0.16
    28   1     0.08  -0.10   0.10     0.16   0.14   0.36    -0.04   0.08   0.61
    29   1     0.05  -0.02  -0.00    -0.01   0.01  -0.00     0.01  -0.01  -0.00
    30   1    -0.10  -0.22   0.05     0.03   0.08  -0.00    -0.01  -0.02   0.03
    31   1     0.06  -0.01  -0.00    -0.02   0.02  -0.01     0.00   0.00  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    820.4058               833.7445               840.2338
 Red. masses --      1.4953                 1.6597                 2.6882
 Frc consts  --      0.5930                 0.6797                 1.1182
 IR Inten    --      9.0106                12.6070                11.6499
 RamAct Fr= 1--      1.0111                 0.2508                 2.5177
  Dep-P Fr= 1--      0.3224                 0.7500                 0.7476
  Dep-U Fr= 1--      0.4875                 0.8571                 0.8556
 Alpha2 Fr= 1--      0.0097                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0822                 0.0358                 0.3590
 AlphaG Fr= 1--     -0.0434                -0.0002                 0.0006
 Gamma2 Fr= 1--     -0.4432                 0.4776                 1.3569
 Delta2 Fr= 1--     -0.3153                -0.0276                 0.8457
 Raman1 Fr= 1--       4.044                  1.003                 10.071
 ROA1   Fr= 1--     -52.637                 44.970                157.329
 CID1   Fr= 1--     -13.014                 44.835                 15.622
 Raman2 Fr= 1--       0.986                  0.430                  4.308
 ROA2   Fr= 1--      -8.115                 11.684                 25.800
 CID2   Fr= 1--      -8.230                 27.181                  5.989
 Raman3 Fr= 1--       1.972                  0.860                  8.616
 ROA3   Fr= 1--     -52.637                 44.970                157.329
 CID3   Fr= 1--     -26.694                 52.307                 18.259
 RC180  Fr= 1--      -0.025                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.00   0.01   0.10     0.05   0.02   0.02
     2   6    -0.01  -0.01   0.03     0.01  -0.01  -0.07    -0.05  -0.03  -0.01
     3   6     0.03   0.01  -0.02    -0.02   0.00   0.03     0.11   0.02   0.00
     4   6     0.02   0.01   0.08    -0.01   0.00  -0.00     0.04  -0.02  -0.08
     5   6    -0.01  -0.02  -0.09     0.00   0.00  -0.02    -0.00  -0.01   0.04
     6   6    -0.02  -0.04  -0.08     0.01   0.02   0.02    -0.03  -0.04   0.05
     7   6    -0.01   0.01  -0.02    -0.00  -0.03  -0.10    -0.02   0.02  -0.04
     8   1     0.04  -0.01  -0.09    -0.06  -0.07  -0.37     0.18  -0.02  -0.02
     9   1     0.03   0.09   0.50     0.00  -0.00  -0.05    -0.02  -0.05  -0.17
    10   1     0.05   0.08   0.62     0.00   0.02   0.01    -0.01  -0.12  -0.29
    11   6     0.02   0.04   0.02    -0.01  -0.05  -0.01     0.02   0.17   0.01
    12   6     0.00   0.01  -0.00    -0.00  -0.01  -0.01    -0.02   0.05   0.09
    13   6    -0.01  -0.04  -0.01    -0.00   0.05  -0.00     0.02  -0.15   0.02
    14   1     0.05   0.03  -0.05    -0.02  -0.03   0.05     0.05   0.10  -0.21
    15   1     0.03  -0.01  -0.10    -0.02   0.02   0.09     0.05  -0.08  -0.31
    16   1     0.00  -0.04   0.01     0.00   0.05   0.00    -0.03  -0.18   0.04
    17   1    -0.01  -0.05   0.08     0.03   0.05  -0.11    -0.14  -0.21   0.46
    18   8    -0.04  -0.01   0.02     0.03   0.00  -0.01    -0.08   0.00   0.03
    19   8     0.02   0.00  -0.04    -0.02  -0.00   0.03     0.05   0.02  -0.10
    20   1     0.01   0.02   0.04     0.00  -0.05  -0.02     0.01   0.11   0.03
    21   6    -0.01   0.01  -0.02    -0.00  -0.02  -0.10    -0.04   0.02  -0.04
    22   6    -0.00  -0.01  -0.04     0.01   0.02   0.10    -0.00   0.02   0.07
    23   6    -0.02   0.00   0.07     0.02   0.00  -0.01    -0.09  -0.04  -0.04
    24   8     0.01  -0.00   0.01    -0.01   0.00  -0.02     0.03  -0.03  -0.01
    25   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02   0.01  -0.00
    26   1    -0.01   0.04   0.09     0.05   0.09   0.59    -0.05   0.10   0.23
    27   1    -0.01   0.03   0.17     0.06   0.11   0.62    -0.05   0.05   0.22
    28   1    -0.07  -0.08  -0.45     0.03  -0.00  -0.00    -0.14   0.05   0.25
    29   1    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.01   0.00  -0.00
    30   1     0.00   0.01  -0.02    -0.01  -0.01   0.01     0.03   0.06  -0.00
    31   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    866.1396               881.1327               927.3481
 Red. masses --      3.1796                 1.8218                 1.5404
 Frc consts  --      1.4054                 0.8334                 0.7805
 IR Inten    --      5.7850                37.4327                10.5803
 RamAct Fr= 1--     22.7353                 2.3333                 1.2168
  Dep-P Fr= 1--      0.1057                 0.6513                 0.3317
  Dep-U Fr= 1--      0.1911                 0.7888                 0.4982
 Alpha2 Fr= 1--      0.3926                 0.0041                 0.0113
 Beta2  Fr= 1--      0.7242                 0.3067                 0.1010
 AlphaG Fr= 1--      0.1847                 0.0744                 0.0909
 Gamma2 Fr= 1--     -0.2273                -0.5614                 0.4130
 Delta2 Fr= 1--     -0.8180                -0.3002                 0.0051
 Raman1 Fr= 1--      90.941                  9.333                  4.867
 ROA1   Fr= 1--     -47.997                -63.502                 39.810
 CID1   Fr= 1--      -0.528                 -6.804                  8.179
 Raman2 Fr= 1--       8.690                  3.681                  1.212
 ROA2   Fr= 1--       1.089                -11.072                  9.871
 CID2   Fr= 1--       0.125                 -3.008                  8.142
 Raman3 Fr= 1--      17.381                  7.362                  2.425
 ROA3   Fr= 1--     -47.997                -63.502                 39.810
 CID3   Fr= 1--      -2.762                 -8.626                 16.418
 RC180  Fr= 1--      -0.618                  0.578                 -0.004
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01   0.02    -0.00  -0.01  -0.04     0.01   0.02   0.08
     2   6     0.09   0.03  -0.01     0.01   0.02   0.14    -0.01  -0.00  -0.03
     3   6    -0.18  -0.04   0.01     0.01   0.00  -0.00    -0.01  -0.02  -0.17
     4   6    -0.01   0.04  -0.01    -0.00   0.00   0.03    -0.00   0.01   0.07
     5   6    -0.06   0.01   0.00    -0.00  -0.01  -0.06     0.01  -0.02  -0.01
     6   6    -0.05  -0.03   0.01     0.00  -0.01  -0.07     0.01   0.01   0.03
     7   6     0.03   0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.01  -0.01
     8   1    -0.34   0.05   0.07     0.01   0.01   0.07     0.06   0.17   0.88
     9   1    -0.07   0.01   0.03     0.04   0.08   0.44     0.01  -0.01   0.03
    10   1    -0.17   0.03  -0.03     0.03   0.05   0.25    -0.01  -0.01  -0.12
    11   6     0.17   0.06   0.07    -0.01  -0.01   0.00    -0.01  -0.00   0.02
    12   6     0.08   0.02   0.00    -0.00  -0.00  -0.02     0.01  -0.00  -0.03
    13   6    -0.05  -0.06  -0.02    -0.00   0.01  -0.00    -0.00  -0.00  -0.01
    14   1     0.15   0.08   0.16    -0.01  -0.01   0.00    -0.00   0.01   0.05
    15   1    -0.18  -0.06   0.03     0.02   0.01   0.00     0.01   0.01   0.00
    16   1     0.05   0.04  -0.49     0.00   0.01   0.03     0.01   0.01   0.01
    17   1    -0.23  -0.04   0.27     0.03   0.02  -0.06     0.04   0.02  -0.08
    18   8    -0.08  -0.04   0.03     0.01   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.05  -0.00  -0.08    -0.00  -0.00   0.01     0.00  -0.00   0.00
    20   1     0.02   0.08   0.09     0.00  -0.01  -0.00    -0.01   0.03  -0.00
    21   6     0.05  -0.05  -0.00    -0.00  -0.00  -0.02    -0.00  -0.01  -0.04
    22   6     0.03  -0.03   0.02     0.01   0.02   0.09    -0.00   0.01   0.01
    23   6     0.18   0.04  -0.04    -0.02  -0.03  -0.18    -0.01   0.00   0.01
    24   8    -0.06   0.06  -0.01     0.00  -0.01  -0.02     0.00  -0.01  -0.00
    25   6    -0.04  -0.03   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1     0.11  -0.02   0.04     0.00   0.01   0.05    -0.01  -0.02  -0.07
    27   1     0.05  -0.05   0.06     0.00   0.01   0.01     0.04   0.06   0.33
    28   1     0.35  -0.01   0.09     0.04   0.14   0.79    -0.02   0.01   0.01
    29   1     0.04  -0.00  -0.01    -0.00  -0.01  -0.00    -0.00   0.00   0.00
    30   1    -0.08  -0.15   0.04     0.01   0.01   0.03     0.01   0.01  -0.00
    31   1     0.04   0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    947.9456               961.4682               969.3010
 Red. masses --      3.5160                 1.3108                 1.3281
 Frc consts  --      1.8615                 0.7139                 0.7352
 IR Inten    --     24.0741                 0.5705                 0.6349
 RamAct Fr= 1--      0.6687                 2.1748                 0.8603
  Dep-P Fr= 1--      0.7303                 0.7406                 0.6970
  Dep-U Fr= 1--      0.8442                 0.8510                 0.8214
 Alpha2 Fr= 1--      0.0002                 0.0003                 0.0008
 Beta2  Fr= 1--      0.0941                 0.3085                 0.1178
 AlphaG Fr= 1--     -0.0076                 0.0184                -0.0361
 Gamma2 Fr= 1--      1.0060                 0.1775                -0.5857
 Delta2 Fr= 1--     -1.7620                -0.1129                 0.2377
 Raman1 Fr= 1--       2.675                  8.699                  3.441
 ROA1   Fr= 1--      40.194                 13.427                -48.624
 CID1   Fr= 1--      15.026                  1.543                -14.131
 Raman2 Fr= 1--       1.129                  3.701                  1.413
 ROA2   Fr= 1--      38.240                  5.162                -15.959
 CID2   Fr= 1--      33.870                  1.395                -11.292
 Raman3 Fr= 1--       2.258                  7.403                  2.827
 ROA3   Fr= 1--      40.194                 13.427                -48.624
 CID3   Fr= 1--      17.800                  1.814                -17.203
 RC180  Fr= 1--       0.688                  0.702                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06   0.02    -0.00  -0.00  -0.01     0.00   0.00   0.03
     2   6     0.06  -0.06   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
     3   6     0.03  -0.17   0.00     0.00   0.00   0.01    -0.00  -0.01  -0.05
     4   6     0.11  -0.03   0.00    -0.00   0.00   0.01     0.00   0.00   0.01
     5   6    -0.11   0.23  -0.04    -0.01  -0.02  -0.11     0.00   0.01   0.03
     6   6    -0.04  -0.00   0.01     0.01   0.02   0.11    -0.00  -0.00  -0.03
     7   6    -0.02   0.06  -0.00    -0.00  -0.01  -0.02    -0.01  -0.02  -0.12
     8   1     0.03  -0.14   0.17    -0.00  -0.01  -0.05     0.02   0.04   0.21
     9   1    -0.19   0.19  -0.00     0.04   0.12   0.68    -0.02  -0.03  -0.15
    10   1     0.16  -0.10  -0.02    -0.04  -0.12  -0.64     0.01   0.03   0.16
    11   6    -0.03  -0.02  -0.07    -0.00  -0.00   0.01    -0.00   0.00   0.00
    12   6    -0.08   0.01   0.05     0.00  -0.00  -0.01     0.00   0.00  -0.00
    13   6     0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.08  -0.03  -0.27    -0.00  -0.00  -0.00     0.00   0.00   0.01
    15   1     0.18   0.02  -0.16     0.01   0.00  -0.00     0.00   0.00  -0.00
    16   1    -0.06  -0.14   0.44     0.00   0.00   0.01     0.00  -0.00   0.01
    17   1     0.12  -0.08   0.02     0.01   0.00  -0.02     0.01   0.00  -0.01
    18   8     0.02   0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.01   0.00   0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.01   0.00   0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
    21   6    -0.07   0.15  -0.03     0.00   0.01   0.03     0.00   0.02   0.10
    22   6     0.07  -0.05   0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.01
    23   6     0.13  -0.11   0.01     0.00   0.00   0.02     0.00  -0.01  -0.01
    24   8    -0.06   0.08  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    25   6    -0.06  -0.04   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.14  -0.03  -0.05     0.01   0.03   0.16     0.06   0.12   0.70
    27   1    -0.20   0.08   0.07    -0.01  -0.03  -0.19    -0.04  -0.10  -0.59
    28   1     0.27  -0.18   0.02    -0.01  -0.02  -0.07     0.01  -0.01   0.02
    29   1     0.06  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    30   1    -0.11  -0.21   0.05    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
    31   1     0.06  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    982.2348              1029.0133              1061.6700
 Red. masses --      3.5082                 2.1282                 4.7249
 Frc consts  --      1.9942                 1.3277                 3.1378
 IR Inten    --      0.9567                 3.4775                54.5933
 RamAct Fr= 1--     16.6869                 4.5993                 2.9142
  Dep-P Fr= 1--      0.1187                 0.4198                 0.4329
  Dep-U Fr= 1--      0.2122                 0.5914                 0.6042
 Alpha2 Fr= 1--      0.2790                 0.0317                 0.0191
 Beta2  Fr= 1--      0.5902                 0.4533                 0.2935
 AlphaG Fr= 1--     -0.1469                 0.1059                 0.0080
 Gamma2 Fr= 1--     -0.1498                -0.6984                 0.5379
 Delta2 Fr= 1--      0.3883                -1.2521                -0.0074
 Raman1 Fr= 1--      66.748                 18.397                 11.657
 ROA1   Fr= 1--      -1.951               -107.117                 51.397
 CID1   Fr= 1--      -0.029                 -5.822                  4.409
 Raman2 Fr= 1--       7.082                  5.440                  3.522
 ROA2   Fr= 1--      -6.701                 -6.746                 12.968
 CID2   Fr= 1--      -0.946                 -1.240                  3.683
 Raman3 Fr= 1--      14.164                 10.879                  7.043
 ROA3   Fr= 1--      -1.951               -107.117                 51.397
 CID3   Fr= 1--      -0.138                 -9.846                  7.298
 RC180  Fr= 1--      -0.576                  0.183                  0.208
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04   0.00     0.05  -0.00  -0.00    -0.01   0.01  -0.00
     2   6     0.03   0.02  -0.01     0.00  -0.02   0.00    -0.05  -0.03   0.01
     3   6     0.05   0.14  -0.02     0.04  -0.11   0.03     0.03   0.02  -0.00
     4   6    -0.07  -0.00  -0.00    -0.02  -0.02  -0.02     0.00  -0.01  -0.00
     5   6     0.00  -0.14   0.03    -0.03   0.09  -0.01     0.01  -0.02   0.00
     6   6     0.02   0.13  -0.02     0.02  -0.01   0.00     0.01   0.03  -0.01
     7   6    -0.02  -0.12   0.03     0.00   0.02  -0.00    -0.08  -0.04   0.01
     8   1     0.06   0.12  -0.09     0.23  -0.23  -0.04     0.10  -0.01  -0.02
     9   1    -0.11  -0.21   0.03     0.00   0.11  -0.05    -0.07  -0.06   0.01
    10   1    -0.23   0.26  -0.03     0.19  -0.10   0.00     0.06   0.01  -0.01
    11   6    -0.01   0.02   0.05    -0.11   0.09   0.13    -0.02   0.01   0.02
    12   6     0.05   0.00  -0.04     0.06  -0.04  -0.12    -0.00  -0.00  -0.02
    13   6     0.00  -0.01   0.01     0.03  -0.06   0.06     0.00  -0.01   0.01
    14   1    -0.05   0.03   0.15    -0.34   0.13   0.53    -0.01   0.03   0.06
    15   1    -0.08  -0.01   0.04    -0.10   0.04   0.22     0.01   0.01   0.01
    16   1     0.03   0.06  -0.23     0.06   0.21  -0.27     0.00   0.02   0.01
    17   1    -0.06   0.03  -0.00    -0.00   0.17  -0.33     0.02   0.02  -0.06
    18   8    -0.01  -0.00   0.00    -0.02   0.01   0.00    -0.00  -0.00   0.00
    19   8     0.01  -0.00  -0.02     0.01  -0.00  -0.05     0.00   0.00  -0.01
    20   1     0.01  -0.01  -0.02     0.02  -0.00  -0.06     0.01  -0.01  -0.02
    21   6    -0.05   0.25  -0.05    -0.03   0.01  -0.00     0.01  -0.11   0.02
    22   6     0.07  -0.03   0.00    -0.01  -0.00   0.00     0.19   0.07  -0.03
    23   6    -0.01  -0.24   0.04     0.00  -0.00   0.00    -0.02   0.05  -0.01
    24   8    -0.02   0.06  -0.01    -0.01  -0.01   0.00     0.15   0.27  -0.06
    25   6    -0.05  -0.04   0.01     0.01   0.01  -0.00    -0.17  -0.30   0.07
    26   1     0.33  -0.31  -0.00    -0.04   0.04  -0.01    -0.32   0.08   0.01
    27   1     0.08   0.34  -0.04    -0.06  -0.00   0.01    -0.26  -0.30   0.07
    28   1     0.12  -0.31   0.05     0.00  -0.00  -0.00    -0.39   0.25  -0.02
    29   1     0.04  -0.01  -0.00     0.01   0.01  -0.00    -0.15  -0.21   0.08
    30   1    -0.08  -0.15   0.03     0.01   0.01  -0.00    -0.12  -0.14   0.03
    31   1     0.04  -0.01   0.00     0.01   0.01  -0.00    -0.16  -0.22   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1091.5827              1098.9056              1151.7242
 Red. masses --      2.1733                 1.9279                 1.4455
 Frc consts  --      1.5258                 1.3717                 1.1297
 IR Inten    --      3.2902                19.0391                14.8392
 RamAct Fr= 1--      2.2282                10.7499                 1.1876
  Dep-P Fr= 1--      0.6864                 0.1706                 0.7402
  Dep-U Fr= 1--      0.8140                 0.2914                 0.8507
 Alpha2 Fr= 1--      0.0025                 0.1577                 0.0002
 Beta2  Fr= 1--      0.3023                 0.5222                 0.1684
 AlphaG Fr= 1--     -0.0003                -0.2076                 0.0003
 Gamma2 Fr= 1--      0.2495                -1.6502                 0.1632
 Delta2 Fr= 1--      0.3888                 1.7482                -0.0815
 Raman1 Fr= 1--       8.913                 43.000                  4.750
 ROA1   Fr= 1--      36.393               -102.477                 13.055
 CID1   Fr= 1--       4.083                 -2.383                  2.748
 Raman2 Fr= 1--       3.628                  6.266                  2.021
 ROA2   Fr= 1--       2.877                -53.591                  4.568
 CID2   Fr= 1--       0.793                 -8.553                  2.261
 Raman3 Fr= 1--       7.255                 12.532                  4.041
 ROA3   Fr= 1--      36.393               -102.477                 13.055
 CID3   Fr= 1--       5.016                 -8.177                  3.230
 RC180  Fr= 1--       0.628                 -0.417                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00    -0.02  -0.01   0.00     0.01   0.08  -0.01
     2   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.02   0.04  -0.01
     3   6     0.01   0.00  -0.00    -0.02   0.06   0.00    -0.05  -0.04   0.01
     4   6     0.10   0.05  -0.00     0.05  -0.01  -0.06    -0.03  -0.02   0.00
     5   6     0.01  -0.06   0.01     0.01  -0.03   0.02     0.01   0.04  -0.01
     6   6    -0.05  -0.03   0.01    -0.01  -0.00   0.00    -0.02  -0.05   0.01
     7   6     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.06  -0.05   0.01
     8   1    -0.16   0.10  -0.00    -0.21   0.15  -0.07     0.06  -0.10   0.01
     9   1    -0.05  -0.10   0.04    -0.03  -0.06  -0.03     0.26   0.19  -0.05
    10   1    -0.22   0.06   0.00    -0.10   0.04  -0.01    -0.06  -0.03   0.01
    11   6     0.05   0.15  -0.14     0.05  -0.01   0.16     0.04   0.01  -0.01
    12   6    -0.06  -0.14   0.06    -0.11   0.01  -0.12    -0.02  -0.01   0.00
    13   6     0.04  -0.09  -0.02    -0.01   0.01   0.09     0.00  -0.01   0.00
    14   1    -0.02   0.22   0.18     0.32   0.07   0.13     0.16   0.06   0.01
    15   1    -0.05   0.06   0.57     0.33   0.12  -0.23     0.04   0.02   0.03
    16   1    -0.04   0.23   0.25    -0.07  -0.06   0.52    -0.01   0.01   0.08
    17   1     0.09   0.20  -0.41     0.32  -0.01  -0.36     0.04   0.01  -0.06
    18   8    -0.02   0.00  -0.00    -0.04  -0.02   0.00    -0.01  -0.00  -0.00
    19   8    -0.02   0.02   0.03     0.04  -0.01  -0.06    -0.00   0.00   0.00
    20   1    -0.04   0.04   0.16     0.05  -0.04  -0.13    -0.00   0.01   0.02
    21   6    -0.01   0.00  -0.00     0.01  -0.01   0.00     0.05   0.02  -0.01
    22   6     0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.04   0.00   0.00
    23   6     0.01   0.00  -0.00     0.01   0.01  -0.00    -0.03  -0.06   0.01
    24   8     0.00   0.00  -0.00    -0.01  -0.01   0.00     0.04   0.03  -0.01
    25   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.01  -0.04   0.01
    26   1     0.04  -0.01  -0.00     0.04  -0.00  -0.00    -0.39   0.12   0.01
    27   1    -0.07  -0.04   0.01    -0.02  -0.02   0.01     0.64   0.40  -0.12
    28   1     0.05  -0.02   0.00     0.02   0.01  -0.00     0.09  -0.12   0.02
    29   1     0.00  -0.00  -0.00     0.01   0.01  -0.00    -0.04  -0.02   0.02
    30   1    -0.01  -0.01   0.00    -0.00  -0.01   0.00     0.03   0.08  -0.02
    31   1     0.00   0.00   0.00     0.01   0.01   0.00    -0.04  -0.03  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1173.9724              1175.6043              1179.5644
 Red. masses --      1.2770                 1.8628                 1.6646
 Frc consts  --      1.0370                 1.5168                 1.3646
 IR Inten    --      0.8225                42.2800                10.3728
 RamAct Fr= 1--      0.7380                22.7600                13.8985
  Dep-P Fr= 1--      0.7498                 0.4116                 0.6371
  Dep-U Fr= 1--      0.8570                 0.5832                 0.7783
 Alpha2 Fr= 1--      0.0000                 0.1617                 0.0284
 Beta2  Fr= 1--      0.1054                 2.2121                 1.8029
 AlphaG Fr= 1--     -0.0021                -0.0033                -0.0279
 Gamma2 Fr= 1--      0.0390                 3.2230                -1.3553
 Delta2 Fr= 1--      0.0003                 4.7232                -2.2538
 Raman1 Fr= 1--       2.952                 91.040                 55.594
 ROA1   Fr= 1--       3.758                460.555               -202.230
 CID1   Fr= 1--       1.273                  5.059                 -3.638
 Raman2 Fr= 1--       1.265                 26.545                 21.635
 ROA2   Fr= 1--       0.934                 39.567                -14.497
 CID2   Fr= 1--       0.739                  1.491                 -0.670
 Raman3 Fr= 1--       2.530                 53.091                 43.271
 ROA3   Fr= 1--       3.758                460.555               -202.230
 CID3   Fr= 1--       1.485                  8.675                 -4.674
 RC180  Fr= 1--       0.714                  0.166                  0.557
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.03  -0.03   0.00     0.03  -0.03   0.00
     2   6     0.00   0.00   0.00    -0.00   0.06  -0.01     0.01   0.04  -0.01
     3   6     0.00  -0.00   0.00     0.01  -0.05   0.00     0.00  -0.04   0.01
     4   6     0.00   0.00   0.00     0.09   0.05   0.01    -0.01   0.01  -0.02
     5   6     0.00  -0.00  -0.00     0.06  -0.01  -0.01     0.06   0.01  -0.00
     6   6    -0.00  -0.00  -0.00    -0.07  -0.05   0.01    -0.06  -0.02   0.01
     7   6    -0.00  -0.00  -0.00     0.01   0.01  -0.00     0.01   0.00  -0.00
     8   1    -0.00   0.00   0.00    -0.17   0.04   0.03    -0.02  -0.04  -0.02
     9   1     0.00   0.00   0.00     0.40   0.19  -0.05     0.49   0.27  -0.10
    10   1    -0.00   0.00   0.00    -0.47   0.16   0.00    -0.43   0.17  -0.00
    11   6    -0.00  -0.00  -0.00    -0.05  -0.02  -0.04    -0.00  -0.02   0.08
    12   6     0.00  -0.00   0.00     0.02  -0.01   0.01    -0.01   0.04  -0.03
    13   6    -0.00   0.00   0.00    -0.04   0.09   0.14     0.03  -0.06  -0.14
    14   1    -0.00  -0.00  -0.00    -0.34  -0.17  -0.18     0.02   0.02   0.17
    15   1    -0.00  -0.00   0.00    -0.08  -0.03   0.04     0.07   0.02  -0.17
    16   1     0.00   0.00  -0.00     0.01   0.01  -0.11    -0.00  -0.06   0.05
    17   1    -0.00   0.00   0.00    -0.07   0.01   0.04     0.04  -0.05   0.05
    18   8    -0.00  -0.00  -0.00    -0.03  -0.03   0.00     0.04   0.03   0.00
    19   8     0.00   0.00  -0.00     0.05   0.00  -0.05    -0.05  -0.01   0.04
    20   1     0.00  -0.00  -0.00     0.10  -0.12  -0.43    -0.11   0.12   0.43
    21   6    -0.00  -0.00  -0.00    -0.02   0.02  -0.00    -0.02   0.02  -0.00
    22   6    -0.00  -0.00  -0.00    -0.02  -0.02   0.00    -0.00  -0.02   0.00
    23   6    -0.00  -0.00  -0.00    -0.03  -0.00   0.00    -0.03   0.01   0.00
    24   8     0.00   0.01   0.06     0.03   0.02  -0.01     0.01   0.01  -0.00
    25   6    -0.01  -0.02  -0.14    -0.00  -0.03   0.01    -0.00  -0.01   0.00
    26   1     0.00   0.00   0.00     0.06  -0.02   0.00     0.18  -0.08   0.00
    27   1    -0.00   0.00   0.01    -0.13  -0.05   0.02    -0.24  -0.12   0.04
    28   1     0.00   0.00   0.02     0.10  -0.07   0.01    -0.00  -0.00   0.00
    29   1     0.30   0.59   0.05    -0.02  -0.02   0.01    -0.01  -0.01   0.00
    30   1     0.02   0.05   0.28     0.02   0.05  -0.01     0.00   0.01  -0.00
    31   1    -0.28  -0.53   0.30    -0.02  -0.01  -0.01    -0.01  -0.01  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1194.6436              1199.0277              1222.1315
 Red. masses --      1.4623                 1.5793                 1.7380
 Frc consts  --      1.2296                 1.3378                 1.5294
 IR Inten    --     14.7381                26.0099                17.4943
 RamAct Fr= 1--      1.7042                43.5754                 6.5835
  Dep-P Fr= 1--      0.7489                 0.1101                 0.2759
  Dep-U Fr= 1--      0.8564                 0.1983                 0.4325
 Alpha2 Fr= 1--      0.0000                 0.7443                 0.0725
 Beta2  Fr= 1--      0.2433                 1.4405                 0.4746
 AlphaG Fr= 1--      0.0003                -0.0238                -0.0152
 Gamma2 Fr= 1--     -2.0536                -1.9671                 0.8578
 Delta2 Fr= 1--     -0.9359                 0.2045                -0.4582
 Raman1 Fr= 1--       6.817                174.301                 26.334
 ROA1   Fr= 1--    -227.096               -182.297                 67.683
 CID1   Fr= 1--     -33.313                 -1.046                  2.570
 Raman2 Fr= 1--       2.919                 17.286                  5.695
 ROA2   Fr= 1--     -41.799                -48.846                 24.252
 CID2   Fr= 1--     -14.319                 -2.826                  4.259
 Raman3 Fr= 1--       5.838                 34.572                 11.390
 ROA3   Fr= 1--    -227.096               -182.297                 67.683
 CID3   Fr= 1--     -38.899                 -5.273                  5.943
 RC180  Fr= 1--       0.713                 -0.603                 -0.135
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.05  -0.00    -0.01  -0.02   0.00     0.06  -0.05   0.00
     2   6    -0.06   0.07  -0.01    -0.04   0.03  -0.00     0.11  -0.08   0.01
     3   6     0.02  -0.00  -0.00     0.02  -0.01   0.00    -0.03   0.01  -0.00
     4   6    -0.06   0.01   0.00     0.12   0.05  -0.02    -0.04  -0.05   0.01
     5   6    -0.01   0.00   0.00    -0.01  -0.05   0.01    -0.01   0.04  -0.01
     6   6     0.03  -0.04   0.00     0.00  -0.04   0.01     0.00   0.05  -0.01
     7   6     0.04  -0.04   0.00     0.00   0.03  -0.00    -0.00   0.03  -0.01
     8   1     0.32  -0.16   0.02    -0.29   0.15  -0.02    -0.14   0.07  -0.00
     9   1     0.14   0.10  -0.03    -0.32  -0.25   0.06    -0.05   0.02   0.00
    10   1     0.26  -0.16   0.01     0.14  -0.12   0.01    -0.18   0.16  -0.02
    11   6     0.05   0.00  -0.02    -0.05  -0.02   0.05    -0.00   0.01  -0.02
    12   6    -0.02  -0.02   0.01     0.01   0.04  -0.02     0.01  -0.01   0.01
    13   6    -0.00   0.00   0.02     0.00  -0.00  -0.06     0.01  -0.01   0.01
    14   1     0.19   0.04  -0.05    -0.39  -0.13   0.09     0.17   0.07  -0.01
    15   1     0.03   0.01   0.04     0.00  -0.00  -0.13    -0.02  -0.01   0.05
    16   1    -0.01   0.01   0.05     0.00  -0.05  -0.01     0.01   0.02  -0.03
    17   1     0.04   0.01  -0.05    -0.01  -0.04   0.08    -0.02   0.02  -0.01
    18   8    -0.01  -0.01  -0.00     0.02   0.01   0.00    -0.00   0.00  -0.00
    19   8     0.01   0.00  -0.01    -0.02  -0.01   0.02     0.00   0.00  -0.00
    20   1     0.02  -0.02  -0.06    -0.04   0.04   0.16     0.00  -0.00  -0.04
    21   6    -0.03  -0.01   0.00    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    22   6    -0.05   0.02  -0.00    -0.07   0.01   0.00    -0.01  -0.01   0.00
    23   6     0.01  -0.00  -0.00     0.02  -0.01   0.00    -0.01  -0.02   0.00
    24   8     0.01   0.04  -0.01     0.02   0.04  -0.01    -0.08   0.04  -0.00
    25   6     0.04  -0.05   0.01     0.03  -0.05   0.01     0.13  -0.05   0.00
    26   1     0.45  -0.26   0.01    -0.13   0.10  -0.01    -0.06   0.07  -0.01
    27   1    -0.18  -0.10   0.03     0.15   0.10  -0.03    -0.09  -0.04   0.01
    28   1     0.36  -0.18   0.01     0.38  -0.20   0.01    -0.24   0.09   0.00
    29   1    -0.16  -0.05   0.06    -0.15  -0.04   0.06    -0.37  -0.09   0.13
    30   1     0.14   0.30  -0.06     0.13   0.29  -0.06     0.30   0.55  -0.12
    31   1    -0.17  -0.07  -0.02    -0.15  -0.06  -0.02    -0.38  -0.12  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1246.8011              1294.8685              1298.1125
 Red. masses --      2.0031                 2.0937                 1.4499
 Frc consts  --      1.8346                 2.0683                 1.4395
 IR Inten    --    139.8618               121.8660               137.6017
 RamAct Fr= 1--      6.5573                12.6194                14.1985
  Dep-P Fr= 1--      0.2639                 0.3377                 0.7297
  Dep-U Fr= 1--      0.4176                 0.5049                 0.8437
 Alpha2 Fr= 1--      0.0747                 0.1153                 0.0049
 Beta2  Fr= 1--      0.4564                 1.0618                 1.9966
 AlphaG Fr= 1--      0.0265                 0.0257                -0.0130
 Gamma2 Fr= 1--      1.0312                 7.0749                -4.9546
 Delta2 Fr= 1--      1.2119                -0.6597                -2.6668
 Raman1 Fr= 1--      26.229                 50.478                 56.794
 ROA1   Fr= 1--     137.779                658.083               -560.974
 CID1   Fr= 1--       5.253                 13.037                 -9.877
 Raman2 Fr= 1--       5.476                 12.742                 23.959
 ROA2   Fr= 1--      15.054                175.077                -97.575
 CID2   Fr= 1--       2.749                 13.740                 -4.073
 Raman3 Fr= 1--      10.953                 25.484                 47.919
 ROA3   Fr= 1--     137.779                658.083               -560.974
 CID3   Fr= 1--      12.580                 25.823                -11.707
 RC180  Fr= 1--      -0.165                  0.010                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.10   0.01     0.05   0.04  -0.01     0.02  -0.03   0.01
     2   6    -0.01  -0.00   0.00     0.15   0.01  -0.01    -0.05   0.00   0.00
     3   6    -0.02   0.04  -0.01    -0.06  -0.01   0.01     0.01   0.00  -0.00
     4   6    -0.07  -0.09   0.02    -0.01  -0.00  -0.00    -0.04  -0.01   0.00
     5   6     0.01   0.01  -0.00    -0.01   0.03  -0.00     0.00  -0.02   0.00
     6   6    -0.00   0.03  -0.01     0.01  -0.02   0.00    -0.00   0.02  -0.00
     7   6     0.01   0.06  -0.01    -0.01   0.02  -0.00     0.01  -0.01   0.00
     8   1    -0.43   0.25  -0.02     0.00  -0.04   0.01    -0.05   0.04   0.00
     9   1     0.10   0.07  -0.02    -0.30  -0.15   0.04     0.13   0.06  -0.03
    10   1     0.28  -0.12   0.00     0.04  -0.04   0.00     0.07  -0.02   0.00
    11   6    -0.05   0.00  -0.02     0.06   0.03   0.03     0.01   0.03   0.05
    12   6     0.03  -0.01   0.01    -0.01  -0.03  -0.01     0.01  -0.05  -0.00
    13   6     0.02  -0.03   0.00    -0.02   0.04   0.03    -0.02   0.05   0.07
    14   1     0.45   0.20   0.02    -0.27  -0.19  -0.28     0.02  -0.15  -0.56
    15   1    -0.06  -0.02   0.06     0.04   0.02   0.06    -0.02  -0.01   0.14
    16   1     0.02   0.02  -0.08    -0.01   0.06   0.03     0.02   0.11  -0.05
    17   1    -0.05   0.03   0.01     0.03   0.01  -0.08    -0.01   0.06  -0.12
    18   8    -0.01   0.01   0.00     0.02   0.00  -0.01     0.04   0.01  -0.02
    19   8     0.00   0.01   0.01    -0.01  -0.02  -0.04    -0.01  -0.04  -0.07
    20   1     0.02  -0.03  -0.13    -0.07   0.11   0.34    -0.12   0.19   0.59
    21   6    -0.01   0.04  -0.01    -0.02   0.01   0.00     0.01   0.01  -0.00
    22   6    -0.11  -0.04   0.02    -0.14  -0.09   0.03     0.05   0.03  -0.01
    23   6    -0.05   0.06  -0.01    -0.08   0.02   0.00     0.02  -0.01  -0.00
    24   8     0.10   0.02  -0.01     0.10   0.03  -0.01    -0.03  -0.01   0.00
    25   6    -0.05  -0.03   0.01    -0.04  -0.04   0.01     0.01   0.01  -0.00
    26   1    -0.07   0.11  -0.02     0.46  -0.23   0.01    -0.25   0.13  -0.00
    27   1    -0.16  -0.05   0.02     0.07   0.07  -0.02    -0.10  -0.06   0.02
    28   1     0.39  -0.17   0.00    -0.34   0.15  -0.00     0.18  -0.09   0.00
    29   1     0.14   0.03  -0.03     0.10   0.03  -0.01    -0.03  -0.02   0.00
    30   1    -0.05  -0.05   0.01    -0.01   0.01  -0.00     0.00  -0.00   0.00
    31   1     0.14   0.04  -0.00     0.10   0.03  -0.02    -0.03  -0.01   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1302.9977              1323.5338              1335.9201
 Red. masses --      1.9947                 2.1191                 1.7739
 Frc consts  --      1.9953                 2.1872                 1.8653
 IR Inten    --     37.1455                18.8266               142.0692
 RamAct Fr= 1--      0.6097                24.7434                 5.3592
  Dep-P Fr= 1--      0.4070                 0.1841                 0.6001
  Dep-U Fr= 1--      0.5785                 0.3109                 0.7501
 Alpha2 Fr= 1--      0.0044                 0.3504                 0.0149
 Beta2  Fr= 1--      0.0588                 1.2821                 0.6700
 AlphaG Fr= 1--      0.0064                 0.2396                -0.0876
 Gamma2 Fr= 1--     -0.8089                -0.5421                 2.9957
 Delta2 Fr= 1--      0.0241                 0.3798                 2.3418
 Raman1 Fr= 1--       2.439                 98.973                 21.437
 ROA1   Fr= 1--     -76.884                -39.890                362.528
 CID1   Fr= 1--     -31.525                 -0.403                 16.911
 Raman2 Fr= 1--       0.705                 15.386                  8.039
 ROA2   Fr= 1--     -19.607                -16.049                 53.163
 CID2   Fr= 1--     -27.793                 -1.043                  6.613
 Raman3 Fr= 1--       1.411                 30.772                 16.079
 ROA3   Fr= 1--     -76.884                -39.890                362.528
 CID3   Fr= 1--     -54.491                 -1.296                 22.547
 RC180  Fr= 1--       0.157                 -0.378                  0.500
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.11   0.03     0.11  -0.06   0.00     0.01  -0.00  -0.00
     2   6    -0.02  -0.16   0.03     0.01   0.01  -0.00    -0.00  -0.00   0.00
     3   6     0.04   0.05  -0.01    -0.04  -0.03   0.01    -0.01   0.01  -0.00
     4   6    -0.02   0.02  -0.00    -0.14   0.04   0.00    -0.01  -0.01   0.02
     5   6     0.03   0.01  -0.01    -0.01  -0.02   0.01     0.00  -0.00  -0.00
     6   6     0.00   0.06  -0.01     0.02   0.02  -0.01     0.00   0.01  -0.00
     7   6    -0.01   0.09  -0.02     0.03  -0.01   0.00     0.00  -0.00   0.00
     8   1     0.61  -0.24   0.01     0.07  -0.10   0.02    -0.01   0.01   0.02
     9   1    -0.09  -0.05   0.02    -0.00  -0.01   0.00     0.02   0.01   0.02
    10   1    -0.43   0.29  -0.02     0.12  -0.03  -0.00     0.04  -0.02   0.00
    11   6     0.02   0.00  -0.00     0.20   0.03  -0.01     0.02  -0.07  -0.15
    12   6    -0.01  -0.00   0.00    -0.06   0.01   0.00    -0.03   0.06   0.03
    13   6    -0.00   0.01   0.01    -0.02   0.01  -0.05     0.00   0.03   0.16
    14   1    -0.05  -0.03  -0.02    -0.59  -0.22   0.12    -0.08   0.16   0.72
    15   1     0.02   0.00  -0.01     0.19   0.07  -0.07     0.02  -0.01  -0.20
    16   1    -0.01   0.02   0.00    -0.05  -0.00   0.12    -0.03  -0.16  -0.01
    17   1     0.01   0.01  -0.02     0.15  -0.08  -0.02     0.06  -0.06   0.11
    18   8     0.00  -0.00  -0.00    -0.02  -0.02   0.01     0.02   0.01  -0.03
    19   8    -0.00  -0.00  -0.00     0.01   0.01   0.03    -0.01  -0.03  -0.08
    20   1    -0.01   0.01   0.04     0.05  -0.07  -0.22    -0.09   0.15   0.51
    21   6     0.02  -0.02   0.00     0.00   0.04  -0.01     0.00   0.00  -0.00
    22   6    -0.10  -0.03   0.01     0.01   0.03  -0.01     0.00   0.00  -0.00
    23   6     0.04   0.06  -0.01    -0.04  -0.01   0.00    -0.01   0.00  -0.00
    24   8     0.05   0.01  -0.01    -0.00  -0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.02  -0.02   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.07   0.13  -0.02    -0.36   0.20  -0.01    -0.02   0.01   0.00
    27   1     0.17   0.08  -0.03    -0.29  -0.14   0.05    -0.03  -0.01   0.01
    28   1     0.32  -0.09  -0.01     0.15  -0.11   0.01     0.04  -0.02   0.00
    29   1     0.07   0.03  -0.01     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    30   1     0.01   0.07  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1     0.07   0.03  -0.01     0.01  -0.00   0.01     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1385.9836              1400.3482              1415.3191
 Red. masses --      1.8695                 5.0267                 1.2170
 Frc consts  --      2.1159                 5.8077                 1.4363
 IR Inten    --      7.4996                 0.5549                10.8150
 RamAct Fr= 1--      1.6833               464.0184                 1.4654
  Dep-P Fr= 1--      0.1119                 0.2163                 0.1663
  Dep-U Fr= 1--      0.2013                 0.3557                 0.2851
 Alpha2 Fr= 1--      0.0286                 6.0321                 0.0217
 Beta2  Fr= 1--      0.0565                27.5104                 0.0696
 AlphaG Fr= 1--     -0.0137                -0.3551                -0.0188
 Gamma2 Fr= 1--      0.0988                -0.8159                -0.3142
 Delta2 Fr= 1--     -0.3592                 2.0223                -0.0030
 Raman1 Fr= 1--       6.733               1856.074                  5.862
 ROA1   Fr= 1--      -2.007                -13.609                -30.259
 CID1   Fr= 1--      -0.298                 -0.007                 -5.162
 Raman2 Fr= 1--       0.678                330.125                  0.836
 ROA2   Fr= 1--       5.246                -35.759                 -7.517
 CID2   Fr= 1--       7.742                 -0.108                 -8.996
 Raman3 Fr= 1--       1.355                660.251                  1.671
 ROA3   Fr= 1--      -2.007                -13.609                -30.259
 CID3   Fr= 1--      -1.481                 -0.021                -18.105
 RC180  Fr= 1--      -0.597                 -0.289                 -0.430
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.05  -0.01     0.14   0.25  -0.06    -0.01  -0.01   0.00
     2   6     0.08   0.01  -0.01    -0.09  -0.22   0.05     0.01   0.00  -0.00
     3   6    -0.06  -0.04   0.01    -0.19   0.11  -0.01     0.01   0.00   0.00
     4   6     0.01   0.09  -0.02     0.09  -0.20   0.03    -0.01   0.00   0.00
     5   6     0.00   0.04  -0.01     0.22   0.09  -0.03    -0.02  -0.01   0.00
     6   6     0.07  -0.07   0.01    -0.20   0.05   0.01     0.01   0.00  -0.00
     7   6     0.05  -0.07   0.01    -0.01  -0.09   0.02     0.00   0.00  -0.00
     8   1     0.13  -0.15   0.02     0.10  -0.03  -0.00     0.02  -0.01  -0.01
     9   1    -0.42  -0.21   0.07    -0.15  -0.16   0.04     0.03   0.03  -0.01
    10   1    -0.36   0.15  -0.00    -0.02  -0.06   0.01     0.01   0.00  -0.00
    11   6    -0.06  -0.03   0.01     0.00   0.02   0.00     0.01  -0.00  -0.01
    12   6     0.02  -0.00   0.00     0.01  -0.00  -0.02     0.04   0.02  -0.13
    13   6     0.01  -0.01   0.01    -0.00   0.00  -0.01    -0.01   0.00   0.01
    14   1     0.40   0.12  -0.04    -0.34  -0.10   0.03    -0.02  -0.00   0.04
    15   1    -0.06  -0.03   0.01    -0.01   0.02   0.06    -0.23   0.12   0.45
    16   1     0.01  -0.02  -0.02     0.01   0.04   0.10     0.07  -0.05   0.59
    17   1    -0.04   0.02  -0.00    -0.07  -0.03   0.07    -0.33  -0.24   0.43
    18   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    19   8    -0.00  -0.00  -0.01     0.00   0.00   0.01     0.00  -0.00  -0.01
    20   1    -0.01   0.01   0.02    -0.00   0.00  -0.02    -0.00   0.01   0.02
    21   6     0.02   0.01  -0.00     0.01  -0.01   0.00     0.00   0.00  -0.00
    22   6    -0.03   0.13  -0.02     0.04   0.07  -0.01    -0.00   0.00   0.00
    23   6    -0.09  -0.05   0.02     0.02   0.03  -0.01    -0.00  -0.00   0.00
    24   8     0.02  -0.03   0.00    -0.02  -0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.02   0.00   0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    26   1    -0.25   0.08   0.00     0.23  -0.23   0.02    -0.02   0.01  -0.00
    27   1    -0.34  -0.22   0.06    -0.16  -0.12   0.03    -0.01  -0.01   0.00
    28   1     0.17  -0.19   0.02     0.47  -0.21   0.01    -0.01   0.00   0.00
    29   1     0.08   0.01  -0.03     0.01  -0.01  -0.01     0.01   0.00  -0.00
    30   1    -0.02   0.01  -0.00     0.00   0.02  -0.00     0.00   0.01  -0.00
    31   1     0.08   0.01   0.01     0.01  -0.01   0.02     0.01   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1426.8675              1456.9537              1476.1770
 Red. masses --      3.5392                 3.5786                 1.2342
 Frc consts  --      4.2454                 4.4757                 1.5846
 IR Inten    --     78.2201                12.0604                 7.4485
 RamAct Fr= 1--    244.2885               154.1224                 8.2462
  Dep-P Fr= 1--      0.2129                 0.2245                 0.6585
  Dep-U Fr= 1--      0.3510                 0.3666                 0.7941
 Alpha2 Fr= 1--      3.2056                 1.9600                 0.0135
 Beta2  Fr= 1--     14.2907                 9.4178                 1.0913
 AlphaG Fr= 1--     -0.2269                -0.4492                -0.0082
 Gamma2 Fr= 1--     -1.1219                -2.5533                 0.6649
 Delta2 Fr= 1--      0.8372                -0.0185                 0.4048
 Raman1 Fr= 1--     977.154                616.490                 32.985
 ROA1   Fr= 1--     -80.917               -245.708                 76.786
 CID1   Fr= 1--      -0.083                 -0.399                  2.328
 Raman2 Fr= 1--     171.488                113.014                 13.096
 ROA2   Fr= 1--     -33.624                -61.131                 12.720
 CID2   Fr= 1--      -0.196                 -0.541                  0.971
 Raman3 Fr= 1--     342.976                226.027                 26.192
 ROA3   Fr= 1--     -80.917               -245.708                 76.786
 CID3   Fr= 1--      -0.236                 -1.087                  2.932
 RC180  Fr= 1--      -0.298                 -0.267                  0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.14   0.03     0.18  -0.01  -0.01    -0.02  -0.00   0.00
     2   6     0.08   0.15  -0.03    -0.17   0.02   0.01     0.01   0.02  -0.00
     3   6    -0.08   0.07  -0.01    -0.11  -0.05   0.02    -0.01   0.02  -0.00
     4   6     0.06   0.02  -0.01    -0.04   0.20  -0.03     0.03   0.00  -0.00
     5   6     0.10   0.01  -0.01     0.12  -0.05   0.00     0.00  -0.02   0.00
     6   6    -0.11  -0.05   0.02    -0.08  -0.00   0.01    -0.04   0.01   0.00
     7   6    -0.15   0.01   0.01     0.13  -0.00  -0.01     0.00  -0.03   0.00
     8   1     0.53  -0.25   0.01     0.26  -0.26   0.03     0.10  -0.04   0.00
     9   1    -0.18  -0.18   0.04    -0.19  -0.25   0.06     0.08   0.03  -0.01
    10   1     0.27  -0.26   0.03     0.07  -0.10   0.01     0.13  -0.07   0.00
    11   6    -0.03  -0.01   0.01    -0.02  -0.05   0.01    -0.01  -0.00   0.00
    12   6     0.01  -0.00  -0.00     0.01   0.00  -0.01     0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00   0.02     0.00  -0.00  -0.00
    14   1     0.09   0.03  -0.01     0.38   0.10  -0.03    -0.00  -0.00   0.00
    15   1    -0.04  -0.02  -0.02    -0.07  -0.01   0.03    -0.03  -0.03  -0.04
    16   1     0.01   0.02   0.01     0.01  -0.06   0.04     0.00  -0.00   0.02
    17   1    -0.06   0.03  -0.00    -0.02  -0.00   0.02    -0.03   0.04  -0.03
    18   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.00
    20   1    -0.00   0.00  -0.02    -0.01   0.02   0.01    -0.00  -0.00   0.00
    21   6     0.17   0.08  -0.03    -0.15   0.04   0.00     0.04   0.03  -0.01
    22   6     0.12  -0.17   0.02    -0.02  -0.14   0.03     0.01  -0.02   0.00
    23   6    -0.14   0.11  -0.01     0.14   0.00  -0.01     0.03  -0.01   0.00
    24   8    -0.06   0.01   0.00     0.01   0.04  -0.01    -0.03  -0.02   0.01
    25   6     0.05   0.03  -0.01     0.03  -0.01   0.00    -0.05  -0.08   0.02
    26   1    -0.07  -0.05   0.01    -0.11   0.15  -0.02    -0.13   0.04   0.00
    27   1    -0.12  -0.11   0.03     0.10   0.23  -0.05    -0.12  -0.07   0.02
    28   1     0.20  -0.05  -0.00    -0.35   0.27  -0.02    -0.14   0.08  -0.00
    29   1    -0.19  -0.12   0.00    -0.11   0.07   0.07     0.38   0.36   0.07
    30   1    -0.01  -0.15   0.03    -0.00  -0.10   0.02     0.13   0.54  -0.11
    31   1    -0.19  -0.11   0.07    -0.12   0.04  -0.08     0.35   0.30  -0.24
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.4741              1493.1481              1497.1000
 Red. masses --      1.0479                 1.0461                 1.0559
 Frc consts  --      1.3753                 1.3741                 1.3944
 IR Inten    --      8.7035                 8.7877                 7.1797
 RamAct Fr= 1--      4.8870                 8.4246                 3.6284
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7301
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8440
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0012
 Beta2  Fr= 1--      0.6981                 1.2035                 0.5104
 AlphaG Fr= 1--      0.0001                -0.0015                 0.0283
 Gamma2 Fr= 1--      0.7983                -0.1023                 0.5656
 Delta2 Fr= 1--     -0.4110                 0.0222                 1.5381
 Raman1 Fr= 1--      19.548                 33.698                 14.513
 ROA1   Fr= 1--      63.486                 -9.112                103.515
 CID1   Fr= 1--       3.248                 -0.270                  7.132
 Raman2 Fr= 1--       8.378                 14.442                  6.125
 ROA2   Fr= 1--      22.447                 -2.632                  1.269
 CID2   Fr= 1--       2.679                 -0.182                  0.207
 Raman3 Fr= 1--      16.755                 28.884                 12.249
 ROA3   Fr= 1--      63.486                 -9.112                103.515
 CID3   Fr= 1--       3.789                 -0.315                  8.451
 RC180  Fr= 1--       0.714                  0.714                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.00  -0.00    -0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
     7   6    -0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.01
     9   1    -0.02  -0.02   0.00    -0.00   0.00  -0.00    -0.04  -0.02   0.01
    10   1    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.03   0.01   0.00
    11   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.03   0.03  -0.02     0.00  -0.00   0.00    -0.03  -0.04  -0.01
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.01
    14   1     0.03   0.02  -0.06    -0.00  -0.00   0.00     0.04   0.02   0.04
    15   1     0.03   0.21   0.46     0.00  -0.00  -0.00     0.62   0.23   0.06
    16   1    -0.05  -0.37  -0.34     0.00   0.00   0.00    -0.02   0.60  -0.17
    17   1     0.57  -0.39   0.11    -0.00   0.00  -0.00    -0.12  -0.23   0.30
    18   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6     0.01   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.01  -0.01   0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8    -0.01  -0.00   0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
    25   6    -0.00  -0.01   0.00    -0.00  -0.01  -0.06    -0.00  -0.01   0.00
    26   1     0.01  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01   0.01  -0.00
    28   1     0.01  -0.00  -0.00    -0.00  -0.00  -0.03    -0.00   0.01  -0.00
    29   1     0.02   0.03   0.01    -0.48  -0.00   0.11     0.01   0.04   0.02
    30   1     0.01   0.04  -0.00     0.05   0.13   0.71     0.00   0.02  -0.00
    31   1     0.03   0.02  -0.02     0.48   0.03   0.03     0.01   0.03  -0.03
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.0519              1524.8817              1547.2556
 Red. masses --      1.0655                 2.3850                 3.6146
 Frc consts  --      1.4240                 3.2675                 5.0984
 IR Inten    --     38.8858                59.9367                26.0772
 RamAct Fr= 1--      2.5475               139.2453                 3.8873
  Dep-P Fr= 1--      0.6237                 0.2365                 0.2655
  Dep-U Fr= 1--      0.7682                 0.3825                 0.4196
 Alpha2 Fr= 1--      0.0059                 1.7136                 0.0441
 Beta2  Fr= 1--      0.3262                 8.8764                 0.2718
 AlphaG Fr= 1--      0.0016                -0.1649                -0.0653
 Gamma2 Fr= 1--     -0.0414                -0.7778                -1.0581
 Delta2 Fr= 1--     -0.1031                 0.3493                 0.2773
 Raman1 Fr= 1--      10.190                556.981                 15.549
 ROA1   Fr= 1--      -7.274                -63.497                -92.707
 CID1   Fr= 1--      -0.714                 -0.114                 -5.962
 Raman2 Fr= 1--       3.914                106.516                  3.262
 ROA2   Fr= 1--      -0.170                -21.462                -27.613
 CID2   Fr= 1--      -0.043                 -0.201                 -8.465
 Raman3 Fr= 1--       7.828                213.033                  6.524
 ROA3   Fr= 1--      -7.274                -63.497                -92.707
 CID3   Fr= 1--      -0.929                 -0.298                -14.211
 RC180  Fr= 1--       0.536                 -0.235                 -0.161
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.10  -0.04   0.00     0.10  -0.05   0.00
     2   6     0.00  -0.00   0.00    -0.08   0.04  -0.00     0.14  -0.09   0.01
     3   6     0.01   0.01  -0.00     0.05  -0.05   0.01    -0.08  -0.03   0.01
     4   6     0.00  -0.02   0.00    -0.12   0.02   0.01     0.08   0.17  -0.04
     5   6    -0.01   0.01  -0.00     0.07   0.07  -0.02    -0.08  -0.15   0.03
     6   6     0.01  -0.01   0.00     0.07  -0.07   0.01    -0.12   0.14  -0.02
     7   6     0.00  -0.01   0.00    -0.11   0.09  -0.01    -0.08   0.10  -0.01
     8   1    -0.02   0.02  -0.00    -0.20   0.07   0.00     0.20  -0.19   0.02
     9   1    -0.01   0.01  -0.00    -0.32  -0.16   0.05     0.37   0.11  -0.05
    10   1    -0.04   0.02  -0.00    -0.29   0.11   0.00     0.44  -0.14  -0.00
    11   6     0.00   0.00  -0.00     0.03  -0.00  -0.00    -0.03  -0.03   0.01
    12   6     0.00   0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.03  -0.01   0.00     0.03   0.00  -0.00     0.16   0.04  -0.02
    15   1    -0.02  -0.01  -0.00    -0.08  -0.04  -0.03     0.04   0.02   0.01
    16   1     0.00  -0.02   0.01     0.01  -0.04   0.08    -0.00   0.03  -0.04
    17   1     0.00   0.01  -0.01    -0.05   0.05  -0.03     0.01  -0.03   0.02
    18   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00   0.01   0.00
    21   6     0.01   0.01  -0.00    -0.05  -0.09   0.02    -0.06  -0.13   0.03
    22   6    -0.01   0.00   0.00     0.16   0.01  -0.01     0.05   0.18  -0.04
    23   6    -0.01   0.00  -0.00    -0.06   0.04  -0.00    -0.08  -0.05   0.01
    24   8     0.02  -0.01   0.00    -0.06  -0.02   0.01     0.00  -0.03   0.00
    25   6     0.04  -0.03   0.00    -0.03  -0.03   0.01    -0.01  -0.01   0.00
    26   1    -0.02   0.00   0.00     0.38  -0.17   0.00     0.33  -0.11  -0.00
    27   1    -0.04  -0.03   0.01     0.34   0.15  -0.05     0.24   0.05  -0.03
    28   1     0.04  -0.02   0.00     0.24  -0.10   0.00     0.17  -0.18   0.02
    29   1    -0.25   0.51   0.31     0.17   0.20   0.05    -0.01   0.12   0.05
    30   1    -0.08  -0.36   0.07     0.05   0.24  -0.05    -0.03  -0.07   0.01
    31   1    -0.31   0.38  -0.43     0.15   0.16  -0.14    -0.02   0.09  -0.09
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1615.2904              1651.6100              1672.3923
 Red. masses --      6.9900                 5.5257                 6.1270
 Frc consts  --     10.7455                 8.8808                10.0966
 IR Inten    --      5.2068                84.5677                86.9774
 RamAct Fr= 1--     50.6934                16.0340               189.5756
  Dep-P Fr= 1--      0.2635                 0.4419                 0.4510
  Dep-U Fr= 1--      0.4170                 0.6129                 0.6216
 Alpha2 Fr= 1--      0.5784                 0.1015                 1.1575
 Beta2  Fr= 1--      3.5235                 1.6379                19.6409
 AlphaG Fr= 1--      0.2306                -0.0259                -0.2419
 Gamma2 Fr= 1--     -0.0042                 0.1451                -1.7226
 Delta2 Fr= 1--      0.4134                -0.9575                -0.4020
 Raman1 Fr= 1--     202.774                 64.136                758.302
 ROA1   Fr= 1--      12.829                -16.707               -178.234
 CID1   Fr= 1--       0.063                 -0.260                 -0.235
 Raman2 Fr= 1--      42.282                 19.654                235.691
 ROA2   Fr= 1--      -3.407                 11.143                -38.126
 CID2   Fr= 1--      -0.081                  0.567                 -0.162
 Raman3 Fr= 1--      84.564                 39.309                471.382
 ROA3   Fr= 1--      12.829                -16.707               -178.234
 CID3   Fr= 1--       0.152                 -0.425                 -0.378
 RC180  Fr= 1--      -0.166                  0.226                  0.243
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.27   0.05    -0.06   0.01   0.00    -0.24   0.09   0.00
     2   6     0.09   0.27  -0.06     0.02  -0.02   0.00     0.23  -0.08  -0.00
     3   6    -0.08   0.17  -0.03     0.22  -0.15   0.01     0.18  -0.09   0.00
     4   6     0.01  -0.23   0.04    -0.19   0.13  -0.01    -0.11   0.06  -0.00
     5   6     0.18   0.13  -0.04     0.23   0.03  -0.02     0.16   0.02  -0.01
     6   6    -0.13  -0.08   0.02    -0.23   0.05   0.01    -0.20   0.07   0.00
     7   6     0.14   0.08  -0.02    -0.20   0.03   0.01     0.27  -0.08  -0.00
     8   1     0.32  -0.03  -0.02    -0.36   0.14   0.00    -0.27   0.14  -0.01
     9   1    -0.21  -0.12   0.03    -0.22  -0.26   0.06    -0.11  -0.15   0.03
    10   1     0.07  -0.19   0.03     0.17  -0.18   0.02     0.22  -0.16   0.01
    11   6     0.01   0.02  -0.00     0.02  -0.02  -0.00     0.01  -0.01  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6    -0.01  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    14   1    -0.17  -0.04   0.02     0.12   0.02  -0.01     0.05   0.01  -0.00
    15   1    -0.01   0.00   0.02    -0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    16   1    -0.00  -0.02  -0.00     0.00  -0.00   0.03     0.00   0.00   0.01
    17   1     0.02  -0.00  -0.00    -0.02   0.01   0.00    -0.01   0.00   0.00
    18   8     0.01   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.01  -0.02     0.01  -0.00  -0.02
    21   6    -0.20  -0.15   0.04     0.22   0.02  -0.02    -0.22  -0.01   0.02
    22   6    -0.03   0.27  -0.05    -0.17   0.13  -0.01     0.14  -0.10   0.01
    23   6     0.09  -0.20   0.03     0.15  -0.12   0.01    -0.20   0.12  -0.01
    24   8     0.03  -0.02   0.00     0.03  -0.01   0.00    -0.01   0.01  -0.00
    25   6    -0.01   0.00   0.00     0.01   0.01  -0.00    -0.01  -0.01   0.00
    26   1    -0.04   0.19  -0.03     0.12  -0.16   0.02    -0.28   0.22  -0.02
    27   1     0.19   0.11  -0.03    -0.19  -0.26   0.06     0.13   0.23  -0.05
    28   1    -0.36   0.02   0.02    -0.26   0.07   0.00     0.31  -0.14   0.00
    29   1     0.01   0.00  -0.00    -0.06  -0.04  -0.01     0.04   0.05   0.02
    30   1    -0.03  -0.05   0.01    -0.02  -0.09   0.02     0.01   0.05  -0.01
    31   1     0.01   0.00   0.00    -0.05  -0.03   0.04     0.03   0.04  -0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1835.7563              3011.0945              3013.7568
 Red. masses --     10.4395                 1.0345                 1.0813
 Frc consts  --     20.7281                 5.5264                 5.7867
 IR Inten    --    408.7640                47.6301                10.7406
 RamAct Fr= 1--     29.6013               200.7979                85.8291
  Dep-P Fr= 1--      0.3340                 0.0592                 0.1372
  Dep-U Fr= 1--      0.5007                 0.1117                 0.2413
 Alpha2 Fr= 1--      0.2735                 3.8805                 1.3703
 Beta2  Fr= 1--      2.4705                 3.7397                 3.4520
 AlphaG Fr= 1--     -0.9631                -0.0884                -0.2901
 Gamma2 Fr= 1--     -3.9904                 0.5177                -3.2082
 Delta2 Fr= 1--      0.3810                 0.3176                -1.8112
 Raman1 Fr= 1--     118.405                803.192                343.316
 ROA1   Fr= 1--    -370.882                 59.864               -365.946
 CID1   Fr= 1--      -3.132                  0.075                 -1.066
 Raman2 Fr= 1--      29.646                 44.876                 41.424
 ROA2   Fr= 1--     -98.816                  9.885                -62.508
 CID2   Fr= 1--      -3.333                  0.220                 -1.509
 Raman3 Fr= 1--      59.291                 89.752                 82.847
 ROA3   Fr= 1--    -370.882                 59.864               -365.946
 CID3   Fr= 1--      -6.255                  0.667                 -4.417
 RC180  Fr= 1--       0.001                 -0.777                 -0.517
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.00   0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.01  -0.02  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    10   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.03  -0.00     0.00  -0.00   0.00     0.03  -0.07   0.02
    12   6     0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    13   6     0.63   0.37  -0.12    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.02  -0.01  -0.04    -0.01   0.02  -0.01    -0.33   0.89  -0.27
    15   1     0.01   0.03   0.03     0.00  -0.00   0.00     0.03  -0.08   0.03
    16   1     0.03   0.05   0.04    -0.00   0.00  -0.00     0.01   0.00   0.00
    17   1    -0.07  -0.03   0.09    -0.00   0.00   0.00    -0.01  -0.01  -0.01
    18   8    -0.40  -0.23   0.08     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.04  -0.03  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   1    -0.06   0.14   0.42     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    25   6    -0.00  -0.00   0.00    -0.00   0.05  -0.01     0.00  -0.00   0.00
    26   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    27   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    28   1    -0.01   0.00   0.00     0.01   0.02  -0.00    -0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00     0.17  -0.25   0.60    -0.00   0.01  -0.02
    30   1    -0.00  -0.00   0.00    -0.28   0.09   0.00     0.01  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.09  -0.45  -0.49    -0.00   0.01   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3050.6222              3067.6384              3114.0768
 Red. masses --      1.0349                 1.1058                 1.1027
 Frc consts  --      5.6744                 6.1309                 6.3004
 IR Inten    --     16.4755                33.0668                15.9485
 RamAct Fr= 1--    170.5651                49.5519                33.6786
  Dep-P Fr= 1--      0.0261                 0.7500                 0.6562
  Dep-U Fr= 1--      0.0508                 0.8571                 0.7924
 Alpha2 Fr= 1--      3.5656                 0.0000                 0.0565
 Beta2  Fr= 1--      1.4449                 7.0787                 4.4477
 AlphaG Fr= 1--     -0.1789                -0.0274                 0.0223
 Gamma2 Fr= 1--      1.3938                -0.6840                -4.7935
 Delta2 Fr= 1--      3.6029                -0.1424                -1.3207
 Raman1 Fr= 1--     682.261                198.208                134.715
 ROA1   Fr= 1--     249.096                -70.217               -502.440
 CID1   Fr= 1--       0.365                 -0.354                 -3.730
 Raman2 Fr= 1--      17.339                 84.945                 53.373
 ROA2   Fr= 1--       4.628                -15.276               -104.478
 CID2   Fr= 1--       0.267                 -0.180                 -1.958
 Raman3 Fr= 1--      34.678                169.889                106.746
 ROA3   Fr= 1--     249.096                -70.217               -502.440
 CID3   Fr= 1--       7.183                 -0.413                 -4.707
 RC180  Fr= 1--      -0.898                  0.714                  0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.02  -0.03   0.01
     9   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.00
    10   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    12   6    -0.00  -0.01   0.05     0.00   0.00  -0.00     0.00  -0.09  -0.01
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.01   0.03  -0.01     0.00  -0.00   0.00    -0.03   0.08  -0.03
    15   1    -0.20   0.56  -0.19     0.00  -0.00   0.00    -0.23   0.63  -0.24
    16   1     0.47  -0.01  -0.02    -0.00   0.00   0.00    -0.04  -0.02  -0.00
    17   1    -0.24  -0.45  -0.37     0.00   0.00   0.00     0.27   0.48   0.41
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.01  -0.02  -0.09     0.00  -0.00  -0.00
    26   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    28   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    29   1     0.00  -0.00   0.00     0.19  -0.28   0.62    -0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.02    -0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.11   0.48   0.50    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3133.1339              3140.1729              3157.1065
 Red. masses --      1.1020                 1.0993                 1.0898
 Frc consts  --      6.3738                 6.3867                 6.3997
 IR Inten    --     17.1214                22.8754                 6.6750
 RamAct Fr= 1--    164.9307               176.1017                43.4473
  Dep-P Fr= 1--      0.4858                 0.4063                 0.2815
  Dep-U Fr= 1--      0.6539                 0.5778                 0.4393
 Alpha2 Fr= 1--      0.8691                 1.2754                 0.4706
 Beta2  Fr= 1--     17.9747                16.9583                 3.1813
 AlphaG Fr= 1--      0.5917                -0.0022                -0.2200
 Gamma2 Fr= 1--      6.2175                -0.4177                 0.9148
 Delta2 Fr= 1--     -1.3220                 0.1342                 1.3927
 Raman1 Fr= 1--     659.723                704.407                173.789
 ROA1   Fr= 1--     554.581                -35.805                132.389
 CID1   Fr= 1--       0.841                 -0.051                  0.762
 Raman2 Fr= 1--     215.697                203.499                 38.176
 ROA2   Fr= 1--     159.797                -11.098                 10.814
 CID2   Fr= 1--       0.741                 -0.055                  0.283
 Raman3 Fr= 1--     431.393                406.998                 76.352
 ROA3   Fr= 1--     554.581                -35.805                132.389
 CID3   Fr= 1--       1.286                 -0.088                  1.734
 RC180  Fr= 1--       0.308                  0.156                 -0.121
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.04  -0.07   0.02
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     8   1     0.01   0.01  -0.00     0.00   0.00  -0.00     0.45   0.86  -0.19
     9   1    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.04  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.09   0.00  -0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.01  -0.03   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.08  -0.26   0.09    -0.00   0.00  -0.00    -0.01   0.03  -0.01
    16   1     0.88  -0.02  -0.05    -0.00   0.00   0.00    -0.01  -0.00   0.00
    17   1     0.12   0.26   0.21    -0.00  -0.00  -0.00     0.00   0.01   0.01
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    22   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.08   0.04  -0.00     0.00  -0.00  -0.00
    26   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.04  -0.07   0.02
    27   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    28   1     0.00   0.00  -0.00     0.01   0.02  -0.01    -0.00   0.00   0.00
    29   1     0.00  -0.00   0.00     0.04  -0.06   0.18     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.92  -0.27  -0.01    -0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00     0.02  -0.12  -0.15     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3161.5794              3174.9084              3179.2345
 Red. masses --      1.0863                 1.0882                 1.0945
 Frc consts  --      6.3977                 6.4631                 6.5180
 IR Inten    --      4.9885                 6.3767                14.4098
 RamAct Fr= 1--     67.8560                65.7985               156.4649
  Dep-P Fr= 1--      0.6793                 0.5772                 0.1754
  Dep-U Fr= 1--      0.8090                 0.7320                 0.2984
 Alpha2 Fr= 1--      0.0847                 0.2135                 2.2665
 Beta2  Fr= 1--      9.1495                 8.0270                 7.7818
 AlphaG Fr= 1--      0.0724                 0.0020                 0.2356
 Gamma2 Fr= 1--      1.6364                 0.3551                -0.1069
 Delta2 Fr= 1--      0.7494                -0.0587                -0.7389
 Raman1 Fr= 1--     271.424                263.194                625.860
 ROA1   Fr= 1--     181.071                 32.216                -33.907
 CID1   Fr= 1--       0.667                  0.122                 -0.054
 Raman2 Fr= 1--     109.794                 96.324                 93.382
 ROA2   Fr= 1--      33.277                  8.992                  3.345
 CID2   Fr= 1--       0.303                  0.093                  0.036
 Raman3 Fr= 1--     219.588                192.648                186.763
 ROA3   Fr= 1--     181.071                 32.216                -33.907
 CID3   Fr= 1--       0.825                  0.167                 -0.182
 RC180  Fr= 1--       0.618                  0.464                 -0.403
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.03  -0.06   0.01     0.00  -0.00   0.00     0.03  -0.05   0.01
     6   6     0.02   0.05  -0.01    -0.00  -0.00   0.00    -0.03  -0.06   0.01
     7   6     0.00   0.00  -0.00    -0.04  -0.07   0.02     0.00   0.00  -0.00
     8   1     0.01   0.01  -0.00     0.04   0.07  -0.02    -0.02  -0.04   0.01
     9   1    -0.41   0.65  -0.09    -0.01   0.02  -0.00    -0.33   0.52  -0.07
    10   1    -0.28  -0.54   0.12     0.01   0.02  -0.00     0.36   0.67  -0.15
    11   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.01   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.01   0.02  -0.00     0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.01   0.00     0.43   0.81  -0.18    -0.01  -0.02   0.00
    27   1    -0.00   0.00  -0.00     0.18  -0.28   0.04    -0.01   0.01  -0.00
    28   1     0.01   0.02  -0.00     0.01   0.02  -0.00    -0.02  -0.04   0.01
    29   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3200.3067              3206.0031              3715.3566
 Red. masses --      1.0939                 1.0892                 1.0650
 Frc consts  --      6.6013                 6.5963                 8.6619
 IR Inten    --      4.7939                 8.9580               134.5524
 RamAct Fr= 1--    185.2090                81.2849               183.9951
  Dep-P Fr= 1--      0.2214                 0.2678                 0.2294
  Dep-U Fr= 1--      0.3625                 0.4225                 0.3732
 Alpha2 Fr= 1--      2.3753                 0.9159                 2.3087
 Beta2  Fr= 1--     11.1888                 5.7241                11.4435
 AlphaG Fr= 1--     -0.0132                -0.0065                -3.1839
 Gamma2 Fr= 1--     -0.3469                -0.0102               -33.9110
 Delta2 Fr= 1--      0.4630                 0.0359                 1.3301
 Raman1 Fr= 1--     740.836                325.140                735.980
 ROA1   Fr= 1--     -18.487                  0.175              -3212.896
 CID1   Fr= 1--      -0.025                  0.001                 -4.365
 Raman2 Fr= 1--     134.266                 68.689                137.322
 ROA2   Fr= 1--     -12.029                 -0.531               -824.505
 CID2   Fr= 1--      -0.090                 -0.008                 -6.004
 Raman3 Fr= 1--     268.531                137.378                274.644
 ROA3   Fr= 1--     -18.487                  0.175              -3212.896
 CID3   Fr= 1--      -0.069                  0.001                -11.698
 RC180  Fr= 1--      -0.275                 -0.155                 -0.254
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.02  -0.02   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   1     0.00  -0.00   0.00    -0.01   0.01  -0.00    -0.00   0.00  -0.00
    10   1    -0.00  -0.00   0.00     0.02   0.05  -0.01     0.00   0.00  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.03   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.89   0.45  -0.02
    21   6     0.05  -0.07   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00  -0.00    -0.04  -0.08   0.02     0.00  -0.00   0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.16   0.28  -0.06    -0.01  -0.02   0.00    -0.00  -0.00   0.00
    27   1    -0.52   0.78  -0.10    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.01   0.00     0.45   0.86  -0.19     0.00   0.00  -0.00
    29   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   1     0.00  -0.00   0.00    -0.02   0.01  -0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.00    -0.00   0.01   0.02    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1362.007688565.053429014.99569
           X            0.99993   0.00039  -0.01150
           Y           -0.00077   0.99945  -0.03303
           Z            0.01148   0.03303   0.99939
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06359     0.01011     0.00961
 Rotational constants (GHZ):           1.32506     0.21071     0.20019
 Zero-point vibrational energy     657833.2 (Joules/Mol)
                                  157.22591 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     30.12    44.58    66.74   130.44   174.33
          (Kelvin)            207.38   262.16   270.99   314.24   332.36
                              372.80   412.80   477.38   516.40   576.87
                              596.47   669.91   693.32   699.45   733.35
                              768.12   777.40   831.97   869.30   915.15
                              990.82   999.58  1063.53  1119.84  1129.57
                             1180.38  1199.57  1208.91  1246.18  1267.75
                             1334.25  1363.88  1383.34  1394.61  1413.22
                             1480.52  1527.51  1570.54  1581.08  1657.07
                             1689.08  1691.43  1697.13  1718.83  1725.13
                             1758.37  1793.87  1863.03  1867.69  1874.72
                             1904.27  1922.09  1994.12  2014.79  2036.33
                             2052.94  2096.23  2123.89  2147.34  2148.31
                             2153.99  2166.87  2193.96  2226.16  2324.04
                             2376.30  2406.20  2641.24  4332.29  4336.12
                             4389.16  4413.65  4480.46  4507.88  4518.01
                             4542.37  4548.81  4567.99  4574.21  4604.53
                             4612.72  5345.57
 
 Zero-point correction=                           0.250555 (Hartree/Particle)
 Thermal correction to Energy=                    0.265801
 Thermal correction to Enthalpy=                  0.266745
 Thermal correction to Gibbs Free Energy=         0.206535
 Sum of electronic and zero-point Energies=           -767.721876
 Sum of electronic and thermal Energies=              -767.706630
 Sum of electronic and thermal Enthalpies=            -767.705686
 Sum of electronic and thermal Free Energies=         -767.765896
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.793             58.690            126.722
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.019
 Vibrational            165.015             52.728             51.501
 Vibration     1          0.593              1.986              6.544
 Vibration     2          0.594              1.984              5.766
 Vibration     3          0.595              1.979              4.966
 Vibration     4          0.602              1.956              3.646
 Vibration     5          0.609              1.932              3.082
 Vibration     6          0.616              1.909              2.748
 Vibration     7          0.630              1.864              2.306
 Vibration     8          0.633              1.856              2.244
 Vibration     9          0.646              1.813              1.972
 Vibration    10          0.653              1.794              1.871
 Vibration    11          0.668              1.747              1.668
 Vibration    12          0.684              1.698              1.492
 Vibration    13          0.714              1.612              1.251
 Vibration    14          0.734              1.557              1.127
 Vibration    15          0.767              1.468              0.959
 Vibration    16          0.778              1.439              0.911
 Vibration    17          0.823              1.326              0.750
 Vibration    18          0.838              1.290              0.705
 Vibration    19          0.842              1.281              0.694
 Vibration    20          0.865              1.228              0.634
 Vibration    21          0.889              1.175              0.579
 Vibration    22          0.895              1.161              0.565
 Vibration    23          0.935              1.078              0.489
 Vibration    24          0.963              1.023              0.443
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.100089D-94        -94.999612       -218.744691
 Total V=0       0.176923D+21         20.247783         46.622244
 Vib (Bot)       0.198743-109       -109.701708       -252.597518
 Vib (Bot)    1  0.989514D+01          0.995422          2.292044
 Vib (Bot)    2  0.668240D+01          0.824933          1.899477
 Vib (Bot)    3  0.445830D+01          0.649170          1.494768
 Vib (Bot)    4  0.226757D+01          0.355560          0.818708
 Vib (Bot)    5  0.168618D+01          0.226905          0.522467
 Vib (Bot)    6  0.140915D+01          0.148957          0.342986
 Vib (Bot)    7  0.110147D+01          0.041973          0.096646
 Vib (Bot)    8  0.106325D+01          0.026637          0.061333
 Vib (Bot)    9  0.906260D+00         -0.042747         -0.098429
 Vib (Bot)   10  0.852239D+00         -0.069439         -0.159888
 Vib (Bot)   11  0.749938D+00         -0.124975         -0.287765
 Vib (Bot)   12  0.667639D+00         -0.175459         -0.404008
 Vib (Bot)   13  0.562518D+00         -0.249863         -0.575332
 Vib (Bot)   14  0.511049D+00         -0.291537         -0.671289
 Vib (Bot)   15  0.444234D+00         -0.352388         -0.811403
 Vib (Bot)   16  0.425296D+00         -0.371309         -0.854970
 Vib (Bot)   17  0.363603D+00         -0.439372         -1.011691
 Vib (Bot)   18  0.346509D+00         -0.460286         -1.059848
 Vib (Bot)   19  0.342211D+00         -0.465706         -1.072327
 Vib (Bot)   20  0.319660D+00         -0.495311         -1.140496
 Vib (Bot)   21  0.298484D+00         -0.525079         -1.209040
 Vib (Bot)   22  0.293137D+00         -0.532930         -1.227116
 Vib (Bot)   23  0.263988D+00         -0.578416         -1.331852
 Vib (Bot)   24  0.246073D+00         -0.608936         -1.402126
 Vib (V=0)       0.351308D+06          5.545687         12.769417
 Vib (V=0)    1  0.104078D+02          1.017357          2.342552
 Vib (V=0)    2  0.720108D+01          0.857398          1.974231
 Vib (V=0)    3  0.498625D+01          0.697774          1.606685
 Vib (V=0)    4  0.282204D+01          0.450563          1.037460
 Vib (V=0)    5  0.225875D+01          0.353869          0.814813
 Vib (V=0)    6  0.199523D+01          0.299992          0.690757
 Vib (V=0)    7  0.170964D+01          0.232906          0.536285
 Vib (V=0)    8  0.167495D+01          0.224002          0.515783
 Vib (V=0)    9  0.153504D+01          0.186120          0.428556
 Vib (V=0)   10  0.148808D+01          0.172628          0.397490
 Vib (V=0)   11  0.140134D+01          0.146542          0.337426
 Vib (V=0)   12  0.133411D+01          0.125192          0.288265
 Vib (V=0)   13  0.125261D+01          0.097817          0.225232
 Vib (V=0)   14  0.121496D+01          0.084563          0.194713
 Vib (V=0)   15  0.116884D+01          0.067754          0.156010
 Vib (V=0)   16  0.115641D+01          0.063113          0.145322
 Vib (V=0)   17  0.111823D+01          0.048531          0.111746
 Vib (V=0)   18  0.110833D+01          0.044670          0.102856
 Vib (V=0)   19  0.110589D+01          0.043714          0.100655
 Vib (V=0)   20  0.109345D+01          0.038799          0.089338
 Vib (V=0)   21  0.108232D+01          0.034354          0.079104
 Vib (V=0)   22  0.107959D+01          0.033260          0.076585
 Vib (V=0)   23  0.106541D+01          0.027517          0.063361
 Vib (V=0)   24  0.105727D+01          0.024187          0.055692
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.367099D+07          6.564783         15.115972
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2211111110000                             866655544444444333322221111110000999998888877766665555444443322221111    
     1            0077654316511                             3751420999752108320994299877599628664286432873983074318861053853188429432
     5            6095270348141                             6225756732677506643857295064292292918716040589596480406265192791882411611
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                     X  X                             XXX  XX     X   X XXXX    X    X      X           X                      
     X                                                      XXX  X      X   X  XXX         X                                         
     X                                                      XXX         X   X  XXX                                                   
     X                                                      X               X  XXX                                                   
     X                                                      X               X  XXX                                                   
     X                                                      X               X  X X                                                   
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
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                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002741    0.000003986   -0.000001464
      2        6          -0.000006029    0.000000575    0.000000669
      3        6           0.000006321    0.000003576    0.000003242
      4        6           0.000004593   -0.000009776   -0.000000919
      5        6          -0.000004242    0.000000805    0.000001953
      6        6           0.000006877    0.000000063   -0.000000546
      7        6           0.000006975   -0.000003671   -0.000000612
      8        1          -0.000000070   -0.000001242   -0.000001156
      9        1           0.000001020    0.000000742   -0.000001219
     10        1          -0.000001695    0.000000871   -0.000000588
     11        6          -0.000016424   -0.000003783    0.000013757
     12        6          -0.000008382   -0.000000266   -0.000015311
     13        6           0.000035952    0.000008978   -0.000031247
     14        1           0.000000527    0.000002278   -0.000002293
     15        1           0.000005772   -0.000000656    0.000003258
     16        1           0.000000724    0.000001247   -0.000005115
     17        1           0.000003755   -0.000000511   -0.000000968
     18        8          -0.000021143   -0.000009846    0.000008178
     19        8          -0.000012453    0.000004106    0.000027311
     20        1          -0.000000330    0.000000848   -0.000003207
     21        6           0.000001932   -0.000006432    0.000002697
     22        6          -0.000016271    0.000012808    0.000004250
     23        6           0.000022271   -0.000010195   -0.000000666
     24        8           0.000017930    0.000017841   -0.000011625
     25        6          -0.000032317   -0.000031672    0.000012631
     26        1          -0.000001233    0.000000018    0.000000455
     27        1           0.000000094    0.000001054    0.000000761
     28        1           0.000007847    0.000004028   -0.000001140
     29        1           0.000000629    0.000005584   -0.000002903
     30        1           0.000001229    0.000001491    0.000001260
     31        1          -0.000001116    0.000007152    0.000000561
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035952 RMS     0.000010061
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.293839D+03 -0.115655D+02 -0.995775D+01
      2  -0.115655D+02  0.177482D+03 -0.821138D+01
      3  -0.995775D+01 -0.821138D+01  0.122751D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.102953D+02  0.196925D+02 -0.160355D+02
      2  -0.245734D+02 -0.127292D+02 -0.259304D+02
      3   0.489758D+02 -0.609737D+02  0.205019D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.318044D+03 -0.943191D+02 -0.143100D+02
      2  -0.141528D+03  0.773637D+02 -0.133292D+02
      3  -0.176516D+03  0.169554D+02  0.276392D+02
      4  -0.171513D+02  0.125372D+03 -0.422480D+02
      5   0.484395D+02 -0.509463D+02 -0.551442D+02
      6  -0.240064D+02  0.411453D+02  0.263413D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.356375D+02  0.728965D+01  0.640966D+00 -0.368796D+02  0.117825D+02
      2   0.728965D+01 -0.324676D+01  0.847900D-02  0.117825D+02 -0.109076D+02
      3   0.640966D+00  0.847900D-02  0.775162D-01  0.556571D-01  0.113619D+01
                 6             7             8             9            10 
      1   0.556571D-01  0.935281D+01 -0.291329D+01 -0.911536D+00  0.436043D+02
      2   0.113619D+01 -0.291329D+01  0.181360D+01 -0.135239D+01 -0.100804D+02
      3   0.389442D+00 -0.911536D+00 -0.135239D+01  0.577455D+00 -0.783599D+00
                11            12            13            14            15 
      1  -0.100804D+02 -0.783599D+00  0.343607D+02 -0.102505D+02  0.350637D-01
      2   0.693744D+01 -0.702613D+00 -0.102505D+02  0.881142D+01 -0.807120D+00
      3  -0.702613D+00 -0.367372D+00  0.350637D-01 -0.807120D+00 -0.313324D+00
                16            17            18            19            20 
      1  -0.902459D+01  0.286725D+01  0.151218D+01  0.323720D+02 -0.737297D+01
      2   0.286725D+01 -0.172657D+01  0.114359D+01 -0.737297D+01  0.498726D+01
      3   0.151218D+01  0.114359D+01 -0.383875D+00 -0.318609D+00 -0.606139D+00
                21            22            23            24            25 
      1  -0.318609D+00 -0.237919D+02  0.378324D+01 -0.819782D-01  0.287251D+01
      2  -0.606139D+00  0.378324D+01 -0.570247D+01 -0.684285D-01 -0.771878D+00
      3   0.463323D-01 -0.819782D-01 -0.684285D-01 -0.171580D+01 -0.107923D+01
                26            27            28            29            30 
      1  -0.771878D+00 -0.107923D+01 -0.434637D+02  0.600916D+01  0.466687D+00
      2  -0.351380D+00 -0.285961D+01  0.600916D+01 -0.315502D+01 -0.237862D+00
      3  -0.285961D+01  0.167694D+01  0.466687D+00 -0.237862D+00 -0.212292D+01
                31            32            33            34            35 
      1   0.123402D+02 -0.127218D+01 -0.155008D+01 -0.466897D+01 -0.892309D+00
      2  -0.127218D+01  0.988626D+01 -0.154316D+01 -0.892309D+00 -0.921660D+00
      3  -0.155008D+01 -0.154316D+01  0.264299D+00 -0.642723D+01  0.118331D+01
                36            37            38            39            40 
      1  -0.642723D+01 -0.232398D+01 -0.590135D+00  0.223742D+00  0.102314D+02
      2   0.118331D+01 -0.590135D+00 -0.103231D+02  0.167303D+01 -0.256036D+01
      3   0.220383D+00  0.223742D+00  0.167303D+01 -0.246696D+01 -0.438963D+00
                41            42            43            44            45 
      1  -0.256036D+01 -0.438963D+00 -0.213973D+01 -0.273236D+00 -0.480380D+01
      2  -0.143327D+01  0.134896D+01 -0.273236D+00  0.226818D+01  0.315319D+01
      3   0.134896D+01  0.149413D+01 -0.480380D+01  0.315319D+01 -0.769297D+00
                46            47            48            49            50 
      1   0.808262D+01 -0.187443D+01  0.649998D-01  0.578827D+00 -0.140237D+01
      2  -0.187443D+01  0.814211D+01 -0.578403D+00 -0.140237D+01  0.480889D+00
      3   0.649998D-01 -0.578403D+00  0.234446D+01  0.560672D+00  0.100038D+01
                51            52            53            54            55 
      1   0.560672D+00 -0.261136D+00  0.754931D+00  0.117664D+01 -0.135876D+02
      2   0.100038D+01  0.754931D+00  0.924043D+00  0.380760D+01  0.418288D+01
      3   0.993439D+00  0.117664D+01  0.380760D+01 -0.196918D+01 -0.126553D+00
                56            57            58            59            60 
      1   0.418288D+01 -0.126553D+00  0.378095D+01 -0.444755D+00 -0.665442D+00
      2  -0.109435D+02  0.110609D+01 -0.444755D+00  0.111760D+01 -0.111694D+01
      3   0.110609D+01 -0.242432D+01 -0.665442D+00 -0.111694D+01 -0.101275D+01
                61            62            63            64            65 
      1  -0.178876D+00 -0.806607D+00 -0.167768D+01 -0.243202D+01 -0.232174D+01
      2  -0.806607D+00 -0.769530D+00 -0.343137D+01 -0.232174D+01 -0.142905D+01
      3  -0.167768D+01 -0.343137D+01  0.202807D+01  0.548543D+00  0.326238D+00
                66            67            68            69            70 
      1   0.548543D+00 -0.316123D+01 -0.289442D+01  0.730902D+00  0.833715D+00
      2   0.326238D+00 -0.289442D+01 -0.497994D+01  0.999272D+00  0.682748D+00
      3  -0.437006D+00  0.730902D+00  0.999272D+00 -0.915629D+00 -0.235357D+00
                71            72            73            74            75 
      1   0.682748D+00 -0.235357D+00 -0.445660D+01  0.314159D+01 -0.238006D+00
      2   0.944814D+00 -0.325569D+00  0.314159D+01 -0.334023D+01  0.350088D+00
      3  -0.325569D+00  0.251923D+00 -0.238006D+00  0.350088D+00 -0.312863D+00
                76            77            78            79            80 
      1   0.341116D+01 -0.447938D+01  0.661691D+00 -0.256172D+00  0.705874D+00
      2  -0.447938D+01  0.764595D+01 -0.881902D+00  0.705874D+00 -0.109966D+01
      3   0.661691D+00 -0.881902D+00  0.796490D+00  0.415846D+00  0.241038D+00
                81            82            83            84            85 
      1   0.415846D+00  0.174668D+01  0.214536D+01 -0.482764D+00  0.111214D+01
      2   0.241038D+00  0.214536D+01  0.317300D+01 -0.659127D+00  0.251378D+01
      3  -0.208885D+00 -0.482764D+00 -0.659127D+00  0.433035D+00 -0.463491D+00
                86            87            88            89            90 
      1   0.251378D+01 -0.463491D+00 -0.319685D+00 -0.549926D+00  0.156000D+00
      2   0.872631D+01 -0.158785D+01 -0.549926D+00 -0.182154D+01  0.367338D+00
      3  -0.158785D+01  0.106285D+01  0.156000D+00  0.367338D+00 -0.235581D+00
                91            92            93            94            95 
      1   0.137559D+02 -0.166843D+01  0.259664D+00  0.398134D+01  0.958076D+00
      2  -0.166843D+01  0.139168D+01  0.731095D+00  0.958076D+00 -0.331913D+01
      3   0.259664D+00  0.731095D+00  0.308249D+01  0.349389D+00  0.191291D+01
                96            97            98            99           100 
      1   0.349389D+00 -0.261053D+01  0.118294D+01  0.773908D+01  0.842849D+01
      2   0.191291D+01  0.118294D+01  0.159149D+01  0.432998D-01 -0.659730D+00
      3   0.127743D+01  0.773908D+01  0.432998D-01 -0.190659D+01 -0.166860D+01
               101           102           103           104           105 
      1  -0.659730D+00 -0.166860D+01 -0.210371D+01 -0.171608D+01 -0.842689D-01
      2  -0.169255D+01 -0.500785D+00 -0.171608D+01  0.147701D+01 -0.344880D+01
      3  -0.500785D+00 -0.254527D+01 -0.842689D-01 -0.344880D+01 -0.153559D+01
               106           107           108           109           110 
      1   0.563589D+01 -0.869966D+00 -0.531824D+01  0.611279D+01  0.343113D+01
      2  -0.869966D+00 -0.234304D+01 -0.695300D+00  0.343113D+01  0.999537D+00
      3  -0.531824D+01 -0.695300D+00  0.301054D+01 -0.128461D+01 -0.378387D+00
               111           112           113           114           115 
      1  -0.128461D+01  0.653467D+00  0.127360D+01 -0.890845D+00 -0.709245D+01
      2  -0.378387D+00  0.127360D+01  0.468555D+00 -0.898058D+00 -0.119195D+01
      3  -0.136057D+01 -0.890845D+00 -0.898058D+00 -0.631253D+00 -0.380085D+01
               116           117           118           119           120 
      1  -0.119195D+01 -0.380085D+01 -0.424367D+00  0.200657D+01 -0.650037D+00
      2  -0.158793D+01 -0.802100D-01  0.200657D+01 -0.178491D+01  0.232723D-01
      3  -0.802100D-01  0.138087D+00 -0.650037D+00  0.232723D-01 -0.113954D+01
               121           122           123           124           125 
      1   0.422681D+01 -0.221802D+01  0.188922D+00 -0.120124D+01  0.126639D+00
      2  -0.221802D+01  0.580500D+01 -0.962080D+00  0.126639D+00 -0.124612D+01
      3   0.188922D+00 -0.962080D+00  0.137071D+01 -0.142352D+01  0.102453D+01
               126           127           128           129           130 
      1  -0.142352D+01  0.114106D+00 -0.608753D+00  0.185673D+00 -0.204806D+01
      2   0.102453D+01 -0.608753D+00  0.779312D+00 -0.279310D+00  0.880869D-01
      3  -0.384861D+00  0.185673D+00 -0.279310D+00  0.120730D+01  0.575190D+00
               131           132           133           134           135 
      1   0.880869D-01  0.575190D+00  0.313860D+00  0.923937D-01  0.228117D+00
      2  -0.398651D+01  0.218594D+01  0.923937D-01  0.155638D+01 -0.115655D+01
      3   0.218594D+01 -0.265233D+01  0.228117D+00 -0.115655D+01  0.172320D+01
               136           137           138           139           140 
      1  -0.149774D+02  0.785379D+00  0.363574D+01  0.422953D+00 -0.111523D+01
      2   0.785379D+00 -0.871792D+00 -0.305211D+00 -0.111523D+01  0.370532D-01
      3   0.363574D+01 -0.305211D+00 -0.245413D+01 -0.228969D+00  0.626737D+00
               141           142           143           144           145 
      1  -0.228969D+00  0.127085D+01  0.677916D-01 -0.119171D+01 -0.239582D-01
      2   0.626737D+00  0.677916D-01  0.924386D-01  0.606993D-01  0.780556D+00
      3   0.125492D+00 -0.119171D+01  0.606993D-01  0.278990D+00  0.704130D+00
               146           147           148           149           150 
      1   0.780556D+00  0.704130D+00  0.146594D+01  0.163210D+00 -0.263469D+00
      2   0.102339D+01  0.823080D+00  0.163210D+00  0.298224D+01  0.276023D+01
      3   0.823080D+00  0.197413D+01 -0.263469D+00  0.276023D+01  0.361087D+01
               151           152           153           154           155 
      1   0.353193D+00  0.630373D-01  0.254951D+00 -0.172880D+02 -0.455427D+01
      2   0.630373D-01  0.211885D+01  0.230011D+01 -0.455427D+01 -0.250538D+01
      3   0.254951D+00  0.230011D+01  0.435488D+01  0.484877D+00 -0.278306D+00
               156           157           158           159           160 
      1   0.484877D+00 -0.723803D+01 -0.528598D+01  0.327564D+00  0.863977D+00
      2  -0.278306D+00 -0.528598D+01 -0.391470D+01  0.353878D+00  0.427541D+00
      3  -0.236702D+01  0.327564D+00  0.353878D+00 -0.105288D+01 -0.228021D+01
               161           162           163           164           165 
      1   0.427541D+00 -0.228021D+01 -0.109883D+02 -0.262789D+01 -0.316665D+01
      2   0.102440D+01 -0.103397D+01 -0.262789D+01 -0.234045D+00  0.241069D-01
      3  -0.103397D+01  0.137867D+01 -0.316665D+01  0.241069D-01 -0.101607D+01
               166           167           168           169           170 
      1  -0.575174D+01 -0.728343D+00 -0.952274D+00  0.105387D-01  0.166741D+00
      2  -0.728343D+00 -0.813202D+00 -0.164890D+01  0.166741D+00 -0.407732D+00
      3  -0.952274D+00 -0.164890D+01 -0.188986D+01 -0.861116D+00 -0.109913D+01
               171           172           173           174           175 
      1  -0.861116D+00  0.102760D+02  0.228992D+01  0.149476D+01  0.696364D+01
      2  -0.109913D+01  0.228992D+01  0.623147D+00  0.395474D+00  0.931414D+00
      3  -0.710422D+01  0.149476D+01  0.395474D+00  0.270045D+01  0.138152D+01
               176           177           178           179           180 
      1   0.931414D+00  0.138152D+01  0.495692D+01  0.615953D+00  0.233773D+01
      2   0.375301D+00 -0.462495D+00  0.615953D+00 -0.976711D+00  0.601551D+00
      3  -0.462495D+00  0.146947D+01  0.233773D+01  0.601551D+00 -0.880418D+00
               181           182           183           184           185 
      1   0.115965D+02 -0.763458D+00 -0.212482D+00 -0.791080D+01  0.250067D+01
      2  -0.763458D+00  0.114729D+02 -0.196147D+01  0.250067D+01  0.327240D+01
      3  -0.212482D+00 -0.196147D+01  0.269639D+01  0.723212D+00 -0.177941D+01
               186           187           188           189           190 
      1   0.723212D+00  0.125740D+01  0.159326D+00  0.452496D+01  0.326350D+02
      2  -0.177941D+01  0.159326D+00 -0.272586D+01 -0.323300D+01 -0.571320D+01
      3  -0.141375D+01  0.452496D+01 -0.323300D+01  0.830043D+00 -0.265396D+00
               191           192           193           194           195 
      1  -0.571320D+01 -0.265396D+00 -0.200778D+02  0.162822D+01  0.212194D+01
      2   0.559441D+01 -0.717363D-01  0.162822D+01 -0.145788D+02  0.213189D+01
      3  -0.717363D-01  0.388850D+01  0.212194D+01  0.213189D+01 -0.158534D+01
               196           197           198           199           200 
      1   0.239879D+01  0.115240D+01  0.622832D+01 -0.357578D+02  0.880044D+01
      2   0.115240D+01  0.165332D+01 -0.213960D+01  0.880044D+01 -0.860175D+01
      3   0.622832D+01 -0.213960D+01 -0.179752D+00  0.647990D+00  0.136925D+01
               201           202           203           204           205 
      1   0.647990D+00  0.240351D+02 -0.308082D+01 -0.685655D+00 -0.187142D+01
      2   0.136925D+01 -0.308082D+01  0.747522D+01 -0.338650D-01  0.311499D+00
      3  -0.954810D-01 -0.685655D+00 -0.338650D-01  0.264345D+01  0.513918D+00
               206           207           208           209           210 
      1   0.311499D+00  0.513918D+00 -0.678001D+01 -0.713488D-01  0.352633D+00
      2   0.546937D+00  0.345876D+01 -0.713488D-01 -0.231947D+01  0.301508D+00
      3   0.345876D+01 -0.187231D+01  0.352633D+00  0.301508D+00 -0.639636D+00
               211           212           213           214           215 
      1  -0.667426D+00  0.161405D+01 -0.114292D+00  0.588476D+00 -0.283083D+00
      2   0.161405D+01 -0.203160D+01  0.387061D+00 -0.283083D+00  0.383409D+00
      3  -0.114292D+00  0.387061D+00  0.101529D+01  0.262125D+00 -0.496283D+00
               216           217           218           219           220 
      1   0.262125D+00 -0.183071D+01  0.233003D+01 -0.290017D+00  0.406852D+01
      2  -0.496283D+00  0.233003D+01  0.229235D+01 -0.642705D+00 -0.106193D+01
      3  -0.239940D-01 -0.290017D+00 -0.642705D+00  0.141599D+01 -0.737599D+00
               221           222           223           224           225 
      1  -0.106193D+01 -0.737599D+00 -0.783015D+00 -0.499509D+00 -0.117362D+01
      2   0.374327D+00 -0.182322D+01 -0.499509D+00 -0.170040D+01 -0.347687D+01
      3  -0.182322D+01 -0.540245D+01 -0.117362D+01 -0.347687D+01  0.251307D+01
               226           227           228           229           230 
      1  -0.137925D+01 -0.175432D+01  0.417581D+00 -0.634192D+00 -0.202085D+01
      2  -0.175432D+01 -0.322389D+01  0.656783D+00 -0.202085D+01 -0.842065D+01
      3   0.417581D+00  0.656783D+00 -0.442577D+00  0.408139D+00  0.152098D+01
               231           232           233           234           235 
      1   0.408139D+00  0.248229D+00  0.511687D+00  0.137570D+00  0.477070D+01
      2   0.152098D+01  0.511687D+00  0.166678D+01 -0.495311D+00 -0.379380D+01
      3  -0.107913D+01  0.137570D+00 -0.495311D+00  0.267050D+00  0.381968D+00
               236           237           238           239           240 
      1  -0.379380D+01  0.381968D+00 -0.434832D+01  0.522975D+01 -0.790919D+00
      2   0.398115D+01 -0.406085D+00  0.522975D+01 -0.796571D+01  0.934351D+00
      3  -0.406085D+00  0.512408D+00 -0.790919D+00  0.934351D+00 -0.897577D+00
               241           242           243           244           245 
      1   0.392837D+00 -0.740389D+00 -0.311946D+00  0.314099D+01  0.255252D+01
      2  -0.740389D+00  0.109018D+01 -0.261030D+00  0.255252D+01  0.139346D+01
      3  -0.311946D+00 -0.261030D+00  0.232403D+00 -0.649284D+00 -0.396712D+00
               246           247           248           249           250 
      1  -0.649284D+00  0.374856D+01  0.298751D+01 -0.752245D+00 -0.882147D+00
      2  -0.396712D+00  0.298751D+01  0.509606D+01 -0.105427D+01 -0.719271D+00
      3   0.279745D+00 -0.752245D+00 -0.105427D+01  0.737565D+00  0.209641D+00
               251           252           253           254           255 
      1  -0.719271D+00  0.209641D+00 -0.720580D+00 -0.367035D+00 -0.498463D+00
      2  -0.105971D+01  0.902401D-01 -0.367035D+00 -0.165010D+00  0.892030D-01
      3   0.902401D-01 -0.949404D-01 -0.498463D+00  0.892030D-01 -0.105694D+01
               256           257           258           259           260 
      1   0.554839D+00  0.122801D+01 -0.851465D+00 -0.355285D+01 -0.124676D+01
      2   0.122801D+01  0.136026D+01 -0.142071D+01 -0.124676D+01 -0.140092D+01
      3  -0.851465D+00 -0.142071D+01  0.247381D+01  0.262087D+01  0.216266D+01
               261           262           263           264           265 
      1   0.262087D+01  0.154157D+02 -0.103046D+01 -0.690536D+00 -0.348363D+01
      2   0.216266D+01 -0.103046D+01  0.980857D+00  0.114424D+00  0.141208D+01
      3  -0.637978D+01 -0.690536D+00  0.114424D+00  0.115087D+01  0.238336D+00
               266           267           268           269           270 
      1   0.141208D+01  0.238336D+00 -0.252741D+00  0.965211D-01  0.144158D+01
      2  -0.732599D+00  0.533570D-01  0.965211D-01  0.141128D+00  0.163189D+00
      3   0.533570D-01 -0.174680D+00  0.144158D+01  0.163189D+00 -0.323637D+00
               271           272           273           274           275 
      1   0.200422D-01  0.107189D+00  0.815650D+00  0.215988D+01  0.243708D+01
      2   0.107189D+00  0.643761D-01  0.127231D-01  0.243708D+01  0.339435D+01
      3   0.815650D+00  0.127231D-01 -0.560962D+00  0.119376D+01  0.218507D+01
               276           277           278           279 
      1   0.119376D+01  0.374555D+01  0.177291D+01  0.173652D+01
      2   0.218507D+01  0.177291D+01  0.232282D+01  0.233508D+01
      3   0.254760D+01  0.173652D+01  0.233508D+01  0.323564D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.327854D+01  0.183201D+01 -0.130777D+01  0.347176D+01 -0.197760D+01
      2   0.732979D+01  0.338646D+01 -0.970121D+00  0.772321D+01 -0.517864D+01
      3   0.929849D+01  0.222880D+02 -0.488092D+01  0.247429D+02 -0.237600D+02
                 6             7             8             9            10 
      1   0.249642D+00 -0.575932D+01  0.859308D+01 -0.136800D+01 -0.551208D+00
      2   0.258562D+01 -0.200189D+02  0.390092D+01  0.132221D+00 -0.445913D+01
      3   0.265307D+01 -0.125470D+01  0.189979D+01  0.354139D+00  0.306954D+02
                11            12            13            14            15 
      1   0.309232D+01 -0.120339D+01 -0.110005D+01  0.937975D+00  0.118657D+01
      2   0.446126D+01 -0.652025D+01 -0.181006D+00 -0.394467D+01  0.458769D+00
      3   0.192405D+02 -0.449300D+01  0.502498D+02 -0.329883D+02  0.316848D+01
                16            17            18            19            20 
      1  -0.586314D+01  0.861386D+01 -0.138559D+01 -0.398123D+01 -0.449237D+00
      2  -0.194114D+02  0.368017D+01  0.794878D+00 -0.840184D+01 -0.273484D+01
      3  -0.730902D+01  0.363318D+01 -0.129399D+00 -0.542373D+01 -0.234586D+02
                21            22            23            24            25 
      1   0.580438D+00 -0.139739D+00  0.170998D-01 -0.149423D+01 -0.757450D+01
      2   0.100741D+01  0.153578D+01  0.180962D+01  0.104565D+01 -0.173019D+02
      3   0.496064D+01 -0.335842D+01  0.531339D+01 -0.185258D+01  0.570281D+01
                26            27            28            29            30 
      1   0.429396D+01 -0.110770D+01  0.699426D+00  0.141046D+01  0.500529D+00
      2   0.788245D+01 -0.102494D+01  0.538497D+01  0.147469D+01  0.883367D+00
      3  -0.217002D+01 -0.100928D+01 -0.207466D+02  0.104261D+02 -0.131812D+01
                31            32            33            34            35 
      1   0.468398D+01  0.374338D+01  0.116441D+01  0.393662D+01  0.124559D+02
      2   0.181178D+00  0.267729D+00  0.584659D+00 -0.121045D+02  0.762363D+00
      3   0.272297D+02 -0.178186D+01 -0.163845D+01 -0.218718D+01 -0.248529D+01
                36            37            38            39            40 
      1  -0.193882D+01  0.362870D+00 -0.887114D-01  0.647812D+01  0.145486D+01
      2   0.107645D+01 -0.263551D+01 -0.764166D+00  0.795117D+00 -0.252264D+01
      3  -0.244180D+01 -0.888194D+01 -0.224424D+01 -0.107077D+00  0.123589D+02
                41            42            43            44            45 
      1  -0.949645D+00 -0.289308D+01  0.160077D+02  0.140423D+01 -0.500600D+00
      2  -0.294498D+01 -0.182451D+01 -0.103027D+02 -0.656147D+01  0.233887D+01
      3  -0.641356D+01  0.262503D+00 -0.289774D+01  0.145598D+01 -0.500055D+01
                46            47            48            49            50 
      1  -0.995690D+00 -0.202129D+01 -0.610245D+01 -0.228325D+01  0.645116D+00
      2   0.247678D+01 -0.336578D+01  0.190164D+01 -0.447006D+01  0.509050D+01
      3   0.215075D+02 -0.229481D+02  0.372571D+01 -0.593455D+01  0.236434D+02
                51            52            53            54            55 
      1  -0.288008D+01 -0.108527D+02 -0.216363D+01  0.311069D+01  0.143648D+01
      2  -0.951961D+00 -0.150544D+02  0.175798D+01  0.135288D+01  0.582609D+01
      3  -0.289002D+01  0.340358D+01 -0.231020D+01  0.525758D+01  0.309158D+02
                56            57            58            59            60 
      1  -0.396127D+01 -0.628665D+01 -0.233023D+01  0.126243D+01 -0.232218D+01
      2  -0.364374D+01 -0.462357D+01 -0.537579D+01  0.377460D+01 -0.207365D+01
      3  -0.100947D+02  0.229161D+01 -0.494579D+01  0.242548D+02 -0.145660D+01
                61            62            63            64            65 
      1  -0.110816D+02 -0.144625D+01  0.222717D+01 -0.254564D+00 -0.548275D+00
      2  -0.203041D+02 -0.195742D+01  0.522705D+01  0.111123D+01  0.721892D+00
      3   0.448968D+01 -0.120305D+01  0.124721D+02  0.179084D+01 -0.356526D+00
                66            67            68            69            70 
      1  -0.160946D+01 -0.766128D+00 -0.148092D+01 -0.280656D+01 -0.845140D+00
      2   0.609312D+00  0.108965D+01 -0.258974D-01  0.186062D+01 -0.251824D+01
      3   0.996222D-02  0.339451D+01 -0.520196D+01  0.838470D+00 -0.257383D+00
                71            72            73            74            75 
      1   0.223817D+01  0.358296D+00 -0.239821D+00  0.171268D+00  0.207887D+01
      2  -0.691272D+00 -0.258664D-01 -0.710882D+00 -0.144412D+00  0.137643D+01
      3   0.877519D+00  0.512190D+00 -0.810452D+01  0.139882D+01 -0.635650D-02
                76            77            78            79            80 
      1  -0.109058D+01  0.819678D+00 -0.400500D+01 -0.285405D+01  0.172842D+01
      2  -0.436735D+00  0.700651D+00 -0.236571D+01 -0.185990D+01  0.372215D-01
      3   0.402765D+01  0.152175D+01  0.358771D+00  0.397698D+00 -0.439175D+00
                81            82            83            84            85 
      1   0.504919D+00  0.793398D+00  0.547204D+00 -0.199535D+01  0.707187D+00
      2   0.501932D+00  0.952293D+00  0.418602D+00  0.101113D+01  0.703013D+00
      3   0.104078D+01  0.700505D+01  0.290587D+01 -0.113507D+01  0.546403D+01
                86            87            88            89            90 
      1   0.134849D+01 -0.457995D+01  0.108618D+01  0.207456D+01  0.406579D+00
      2   0.669091D+00  0.141308D+01 -0.120091D+01  0.600380D+00 -0.626535D+00
      3   0.358980D+01 -0.118337D+01 -0.120277D+01 -0.136647D+01 -0.628542D+00
                91            92            93            94            95 
      1   0.274729D+01  0.904220D+00 -0.183735D+01  0.498456D+01 -0.608716D+00
      2  -0.636399D+01 -0.192362D+01 -0.699003D+01 -0.236426D+01 -0.859222D+01
      3   0.105188D+02 -0.208833D+00  0.241284D+01  0.196846D+02 -0.176773D+02
                96            97            98            99           100 
      1  -0.233332D+01 -0.270896D+01  0.495506D+01  0.140223D+01  0.127066D+01
      2  -0.291335D+01 -0.331488D+02 -0.345100D+00  0.452763D+01 -0.119587D+02
      3   0.788269D+01  0.257923D+00  0.104319D+02  0.808324D+01  0.601523D+00
               101           102           103           104           105 
      1  -0.612116D+01  0.583086D+00 -0.280567D+01  0.433141D+01 -0.110706D+02
      2   0.207865D+01  0.175266D+02 -0.453895D+00  0.183944D+02  0.630322D+01
      3  -0.136226D+02 -0.103860D+01 -0.869188D+01  0.843033D+01 -0.151412D+02
               106           107           108           109           110 
      1   0.309377D+01 -0.572143D+01 -0.534626D+01 -0.374109D+01  0.129571D+01
      2   0.169087D+02  0.285936D+01 -0.523135D+01  0.123551D+02  0.490328D+01
      3   0.529142D+01 -0.141950D+02 -0.744539D+01 -0.596692D+01  0.886765D+01
               111           112           113           114           115 
      1   0.953415D+01 -0.933521D+01 -0.688868D+01 -0.832033D+01  0.878021D+01
      2   0.400491D+01  0.667840D+01  0.399192D+01 -0.832093D+01  0.697079D+01
      3  -0.716992D+01  0.908535D+01  0.162922D+02 -0.230487D+01 -0.137146D+02
               116           117           118           119           120 
      1  -0.656243D-01  0.601880D+01  0.117760D+01 -0.953621D+00  0.105997D+01
      2  -0.220848D+01  0.231382D+01  0.275185D+01 -0.949746D+00  0.494087D+01
      3  -0.651755D+01 -0.420481D+01  0.885825D+01 -0.622822D+01 -0.216673D+00
               121           122           123           124           125 
      1  -0.122444D+01  0.230152D+01 -0.308963D+01  0.895828D+00 -0.303145D+00
      2  -0.156274D+01  0.459746D+01 -0.510311D+01  0.287380D+01 -0.334939D+01
      3  -0.765987D+00  0.203276D+02 -0.371884D+01 -0.110268D+01 -0.498737D+01
               126           127           128           129           130 
      1   0.601067D+00 -0.244273D+01  0.278655D+01 -0.479564D+00  0.113230D+01
      2   0.170933D+01 -0.285495D+01  0.291220D+01 -0.442717D+01  0.289960D+01
      3   0.228483D+01 -0.462645D+01  0.394017D+01 -0.128936D+01  0.356865D+01
               131           132           133           134           135 
      1  -0.108381D+02  0.334398D+01 -0.284646D-03  0.502828D+01 -0.255697D+01
      2  -0.994744D+01  0.917898D+01 -0.220880D+01  0.429408D+01 -0.690920D+01
      3  -0.168729D+02  0.903838D+01  0.351591D+00  0.588130D+01 -0.474603D+01
               136           137           138           139           140 
      1  -0.139426D+01 -0.267283D+01  0.792394D+00 -0.211060D+01 -0.796442D+00
      2   0.110705D+02  0.162183D-01  0.773786D+01  0.189396D+00 -0.701816D+00
      3  -0.449743D+01 -0.629762D+01  0.607879D+00 -0.327502D+01 -0.849008D+00
               141           142           143           144           145 
      1   0.241335D+00 -0.577626D-01  0.132855D+01 -0.758819D-01  0.171292D+01
      2   0.102064D+00  0.124304D+01  0.542325D+00  0.119961D+01 -0.485507D+01
      3   0.217942D+01 -0.581146D+00  0.253711D+01 -0.708695D+00  0.351967D+01
               146           147           148           149           150 
      1   0.312640D+01  0.213881D+00  0.177659D+01  0.586560D+01  0.220445D+01
      2  -0.464936D+01 -0.825734D+01 -0.303453D+01 -0.116155D+02 -0.133175D+02
      3   0.447530D+01  0.316050D+01  0.376132D+01  0.108473D+02  0.984536D+01
               151           152           153           154           155 
      1  -0.108545D+00  0.515749D+01  0.234877D+01  0.373050D+01  0.744890D+00
      2  -0.444777D+01 -0.930549D+01 -0.166361D+02 -0.111128D+02 -0.149760D+01
      3   0.295157D+00  0.773174D+01  0.863246D+01 -0.857339D+01 -0.207489D+02
               156           157           158           159           160 
      1  -0.585329D+01  0.671489D+01  0.440100D+01 -0.319705D+01 -0.330345D+01
      2   0.192173D+02 -0.134496D+01 -0.448224D+01  0.105611D+02  0.614161D+01
      3  -0.144723D+00 -0.175002D+02 -0.227435D+02  0.632268D+00  0.321970D+01
               161           162           163           164           165 
      1   0.145084D+01  0.131668D+01  0.545514D+01  0.241901D+01 -0.266625D+01
      2   0.358662D+01 -0.858128D+01 -0.112511D+02 -0.485827D+01  0.211084D+01
      3   0.413524D+01 -0.268445D+01 -0.748923D+01 -0.372737D+01  0.110285D+01
               166           167           168           169           170 
      1   0.740141D+01  0.433488D+01  0.232379D+01 -0.829341D+00  0.717564D+01
      2  -0.876254D+01  0.486685D+01  0.766383D+01 -0.323321D+01  0.338241D+01
      3  -0.315971D+00 -0.443634D+01 -0.873163D+01  0.417611D+01 -0.225473D+01
               171           172           173           174           175 
      1  -0.277759D+01 -0.731931D+01 -0.320631D+01  0.305614D+00 -0.859140D+01
      2   0.232905D+02  0.206727D+02  0.364632D+01 -0.688532D+01  0.804166D+01
      3  -0.367781D+01  0.281597D+01  0.247680D+01  0.208364D+01  0.828828D+01
               176           177           178           179           180 
      1  -0.270915D+01 -0.182205D+01 -0.237346D+00 -0.110984D+00 -0.870582D+00
      2   0.351787D+01 -0.396769D+01 -0.338255D+01 -0.111690D+01  0.486846D+01
      3   0.104842D+01  0.569575D+00  0.222391D+01  0.809615D+00  0.106540D+01
               181           182           183           184           185 
      1  -0.377574D+00  0.239890D+01  0.652393D+01  0.271550D+01 -0.103687D+01
      2  -0.673463D+01 -0.241926D+01  0.751877D+01 -0.907326D+00 -0.792751D+01
      3  -0.284855D+02 -0.161759D+02  0.303764D+01 -0.927396D+01 -0.257896D+02
               186           187           188           189           190 
      1  -0.278717D+01  0.151196D+02  0.309066D+01 -0.233875D+01 -0.111472D+01
      2  -0.253058D+01 -0.195406D+01 -0.106205D+02  0.146621D+01 -0.402050D+01
      3   0.600414D+01  0.278966D+01  0.766863D+01 -0.212927D+01  0.876565D+01
               191           192           193           194           195 
      1   0.327476D+01 -0.416532D+00  0.295389D+01  0.218894D+01  0.385841D+01
      2   0.472749D+01  0.200357D+01  0.116828D+02  0.226371D+01 -0.356758D+01
      3   0.202281D+02 -0.442481D+01  0.438114D+02  0.209397D+02 -0.564972D+01
               196           197           198           199           200 
      1  -0.285471D+01  0.139781D+02 -0.326889D+01 -0.186492D+00 -0.212294D+01
      2  -0.542399D-01 -0.555550D+01  0.944714D+00  0.884297D+00 -0.182886D+01
      3  -0.819188D+01 -0.459275D+01  0.565088D+01 -0.256288D+02 -0.111732D+02
               201           202           203           204           205 
      1   0.342886D+00 -0.187852D+01  0.121730D+01 -0.384360D+01 -0.421611D+01
      2   0.402501D+01 -0.711348D+01  0.417304D+01  0.580290D+01 -0.161701D+02
      3   0.256381D+01 -0.761847D+00 -0.184633D+01 -0.191001D+01  0.465287D+01
               206           207           208           209           210 
      1   0.399486D+01  0.338863D+00  0.119819D+01 -0.293161D+01  0.741812D+00
      2   0.146910D+02 -0.454775D+01  0.367764D+01 -0.507358D+01  0.112412D+02
      3  -0.328533D+01 -0.703182D+01  0.106922D+02 -0.379924D+02  0.433342D+01
               211           212           213           214           215 
      1   0.461134D+00 -0.887590D+00 -0.588162D+01  0.265878D+01 -0.108565D+01
      2  -0.202741D+00  0.258435D+01  0.663925D+01 -0.600778D+01 -0.319326D+01
      3   0.108378D+01  0.117420D+02 -0.294479D+01  0.719380D-01  0.143186D+01
               216           217           218           219           220 
      1   0.111711D+01 -0.142688D+01  0.402087D+00 -0.114844D+01  0.241794D+01
      2  -0.825485D+00 -0.626810D+01 -0.153533D+01  0.753994D+01 -0.376758D+01
      3   0.134551D+01 -0.346767D+02 -0.326002D+01  0.390058D+01  0.564396D+01
               221           222           223           224           225 
      1   0.361078D+01  0.587169D+01  0.100979D+02  0.658901D+01 -0.158547D+01
      2  -0.745145D+01 -0.333713D+02 -0.656559D+01 -0.211038D+02  0.158672D+02
      3   0.178050D+02  0.786567D+01  0.426214D+01  0.616953D+01  0.266784D+02
               226           227           228           229           230 
      1   0.247377D+00 -0.284807D+00 -0.192188D+01  0.301944D-01 -0.768776D+00
      2   0.197254D+01  0.179985D+01  0.364364D-01  0.142154D+01  0.362556D+01
      3   0.922067D+01  0.754182D+01 -0.203183D+01  0.710936D+01  0.176275D+02
               231           232           233           234           235 
      1  -0.415290D+01  0.129826D+01  0.210015D+01  0.349569D+00 -0.741787D+00
      2  -0.552661D+00 -0.481353D+00 -0.999460D+00 -0.773490D-01 -0.865456D+00
      3  -0.362143D+01 -0.204396D+01 -0.383889D+01  0.131598D+00 -0.258503D+00
               236           237           238           239           240 
      1   0.812649D+00  0.213122D+01 -0.207073D+00 -0.830479D+00 -0.374812D+01
      2  -0.961243D-02  0.251692D+01 -0.106776D+01  0.118683D+01 -0.374862D+01
      3  -0.569842D+01  0.551651D+00 -0.554483D+01  0.159070D+02 -0.134666D+01
               241           242           243           244           245 
      1  -0.294522D+01  0.154612D+01  0.542029D+00  0.273864D+00 -0.238797D-01
      2  -0.271794D+01 -0.878535D+00  0.115028D+01 -0.606788D+00 -0.811681D+00
      3   0.182333D+01 -0.214556D+01  0.157151D+01 -0.697695D+00 -0.248909D+01
               246           247           248           249           250 
      1  -0.104557D+01  0.202083D+00 -0.280071D+00 -0.273942D+01 -0.494626D+00
      2   0.101949D+01 -0.900879D+00 -0.281665D+01  0.275738D+01 -0.139071D+01
      3   0.468726D+00 -0.610847D+00 -0.133840D+02  0.241686D+01  0.567416D+00
               251           252           253           254           255 
      1   0.152248D+01  0.366534D+00 -0.174175D+00  0.651233D+00  0.146002D+01
      2  -0.832190D+00 -0.168945D-01 -0.532122D+01  0.835885D+00 -0.560159D+01
      3   0.286241D+01  0.404422D+00  0.902874D+00  0.284504D+01 -0.242902D+01
               256           257           258           259           260 
      1  -0.190503D+00 -0.325325D+00 -0.229631D+01 -0.212094D+01  0.151974D+01
      2  -0.353214D+01 -0.773266D+01  0.141687D+02  0.812260D+01  0.125316D+02
      3  -0.410179D+01 -0.119574D+02  0.953886D+01  0.425011D+01  0.108409D+02
               261           262           263           264           265 
      1   0.517827D+01  0.666027D+00 -0.593475D+00 -0.417010D+00 -0.540762D+00
      2  -0.350549D+02  0.106981D+01  0.857681D-01  0.907969D+01  0.345510D+00
      3  -0.167985D+02  0.144694D+02 -0.102211D+02 -0.878694D+00 -0.810066D+01
               266           267           268           269           270 
      1   0.122509D+00 -0.739515D+00 -0.110842D+01  0.125028D+00  0.154001D+00
      2   0.782979D+00 -0.119020D+01  0.669583D+01  0.991314D+00 -0.164531D+01
      3   0.526569D+01 -0.448371D+00 -0.870893D+00 -0.744142D+00 -0.112237D+01
               271           272           273           274           275 
      1  -0.108768D+00  0.109741D+00  0.964034D+00 -0.153390D+01 -0.266331D+01
      2   0.590496D+01  0.634868D+00 -0.245069D+01  0.550936D+01  0.110646D+02
      3  -0.173764D+01  0.157165D+01  0.458415D+00 -0.939847D+01 -0.246352D+02
               276           277           278           279 
      1  -0.481935D+01 -0.294171D+01 -0.132736D+01 -0.532618D+01
      2   0.146735D+02  0.595930D+01  0.129999D+02  0.174243D+02
      3  -0.133993D+02 -0.661313D+01 -0.158312D+02 -0.157263D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.745589D+02  0.418869D+02 -0.437507D+01 -0.732419D+02  0.448394D+01
      2   0.373171D+02 -0.280481D+02  0.366932D+01  0.378787D+02  0.566391D+01
      3   0.372418D+02 -0.138387D+02  0.705757D+00  0.353632D+02 -0.101478D+02
      4   0.237643D+02  0.993304D+01 -0.305234D+01  0.107394D+02 -0.207027D+02
      5  -0.774566D+01 -0.357232D+01 -0.132061D+00 -0.553118D+01  0.697683D+01
      6   0.301823D+01  0.154871D+01  0.241905D+01  0.424225D+01 -0.530033D+01
                 6             7             8             9            10 
      1   0.230124D+01  0.179397D+02 -0.514265D+01 -0.989247D+01  0.109614D+03
      2  -0.404234D+01 -0.792762D+01  0.207652D+01 -0.105648D+01 -0.510796D+02
      3   0.174109D+01 -0.100120D+02  0.306614D+01  0.109489D+02 -0.585347D+02
      4   0.381563D+01 -0.333209D+01  0.315487D+01 -0.595322D+00  0.101257D+02
      5   0.335478D+01  0.164532D+01 -0.123586D+01  0.188133D+00 -0.290979D-01
      6   0.173956D-03  0.175656D+01  0.413674D+01  0.103545D+01 -0.771754D+01
                11            12            13            14            15 
      1  -0.166652D+01 -0.818936D+01  0.592050D+02 -0.338358D+02  0.166637D+01
      2  -0.251859D+01  0.392008D+01 -0.220177D+02  0.240499D+02 -0.440383D+01
      3   0.418510D+01  0.426928D+01 -0.371873D+02  0.978592D+01  0.273746D+01
      4   0.130736D+02 -0.503170D+01 -0.305555D+02  0.161318D+02 -0.552024D+00
      5  -0.741597D+01 -0.108591D+02  0.966707D+01 -0.227300D+01 -0.440399D+00
      6   0.403065D+01  0.133448D+01 -0.379590D+01 -0.823699D+00 -0.219556D+01
                16            17            18            19            20 
      1  -0.180349D+02  0.566387D+01 -0.488022D+01  0.394535D+02 -0.473245D+02
      2   0.818608D+01 -0.367648D+01 -0.259049D+01 -0.191137D+02  0.344712D+02
      3   0.984886D+01 -0.198739D+01  0.747071D+01 -0.203398D+02  0.128533D+02
      4   0.620965D+01 -0.220753D+01  0.497837D+01 -0.264223D+02 -0.116368D+02
      5   0.126277D+01  0.419323D+01  0.486096D+00  0.103751D+02  0.410847D+01
      6   0.524230D+01  0.421625D+01  0.153988D+01 -0.267625D+01 -0.474950D+00
                21            22            23            24            25 
      1   0.612412D+01  0.872188D+01  0.318650D+02 -0.506910D+01 -0.405995D+01
      2  -0.468118D+01 -0.212911D+02 -0.315727D+02  0.662136D+01  0.665750D+01
      3  -0.144294D+01  0.125693D+02 -0.292338D+00 -0.155226D+01 -0.259755D+01
      4   0.325751D+01  0.162090D+02 -0.246380D+01  0.271390D+01 -0.103399D+01
      5  -0.247459D+01 -0.713343D+01  0.323774D+01  0.685508D+01  0.499085D+01
      6   0.693247D+00  0.919321D+01  0.534343D+01  0.215916D+01  0.275602D+01
                26            27            28            29            30 
      1  -0.138533D+01 -0.689413D+01  0.911750D+01 -0.666809D+00  0.301051D+01
      2   0.538962D+01 -0.677886D+01 -0.230336D+02 -0.232386D+01 -0.147782D+01
      3  -0.400429D+01  0.136730D+02  0.139161D+02  0.299067D+01 -0.153269D+01
      4   0.515134D+01  0.424111D+01 -0.948160D+00  0.135905D+02  0.323810D+00
      5   0.908044D+01 -0.234521D+01 -0.114507D+02  0.219229D+01  0.924347D+01
      6   0.456281D+01 -0.417489D+00  0.102900D+02 -0.150989D+01 -0.299609D+01
                31            32            33            34            35 
      1   0.149288D+02 -0.641318D+02  0.847271D+01 -0.178131D+01  0.104792D+02
      2  -0.483146D+01  0.602558D+02 -0.126145D+02 -0.221339D+01 -0.114477D+02
      3  -0.100973D+02  0.387600D+01  0.414183D+01  0.399470D+01  0.968444D+00
      4  -0.394060D+02 -0.109009D+02  0.474074D+01  0.147568D+02  0.305838D+01
      5   0.129373D+02  0.515410D+01 -0.746142D+00  0.320287D+02 -0.578716D+01
      6  -0.982206D+00 -0.570694D+01 -0.239500D+01 -0.631506D+01  0.616981D+01
                36            37            38            39            40 
      1  -0.149833D+00 -0.616178D+01  0.717945D+02 -0.135724D+02 -0.196341D+02
      2  -0.818475D+01 -0.432373D+00 -0.563055D+02  0.737625D+01  0.211761D+02
      3   0.833459D+01  0.659415D+01 -0.154891D+02  0.619611D+01 -0.154208D+01
      4  -0.243394D+00  0.206686D+02 -0.112076D+02 -0.770922D+00  0.193461D+02
      5   0.597702D+00 -0.365762D+01 -0.419107D+01  0.270938D+01  0.268250D+01
      6   0.526432D+01 -0.392894D+01  0.369225D+01 -0.127487D+02 -0.104685D+02
                41            42            43            44            45 
      1   0.254769D+02 -0.804709D+01  0.573600D+01 -0.138905D+02 -0.134799D+02
      2  -0.291115D+02  0.761992D+01 -0.942193D+01  0.154294D+02  0.332283D+01
      3   0.363459D+01  0.427173D+00  0.368593D+01 -0.153892D+01  0.101570D+02
      4   0.153577D+02 -0.719511D+01 -0.868970D+00 -0.523300D+01 -0.731919D+01
      5  -0.838718D+01 -0.685997D+01  0.183770D+02 -0.777133D+01  0.373737D+01
      6   0.885189D+01  0.600689D+01 -0.188685D+02  0.170516D+02  0.414477D+00
                46            47            48            49            50 
      1   0.595121D+01 -0.584043D+02  0.838782D+01  0.208861D+02  0.694684D+01
      2  -0.380127D+01  0.464240D+02 -0.331347D+01 -0.198289D+02 -0.118200D+02
      3  -0.214994D+01  0.119802D+02 -0.507434D+01 -0.105714D+01  0.487319D+01
      4  -0.173943D+02 -0.895988D+01  0.430952D+01  0.129659D+02 -0.949296D+01
      5   0.518448D+01  0.650752D+01 -0.104267D+00 -0.240885D+01  0.177795D+01
      6   0.408795D+01  0.543842D+00  0.112572D+02  0.312769D+01  0.106782D+02
                51            52            53            54            55 
      1  -0.708118D+01 -0.475375D+01 -0.225497D+01 -0.220305D+02 -0.277869D+02
      2   0.819054D+01  0.622499D+01  0.904329D+01  0.915139D+01  0.117509D+02
      3  -0.110936D+01 -0.147124D+01 -0.678832D+01  0.128791D+02  0.160360D+02
      4   0.305175D+01  0.117813D+01  0.604242D+01  0.621373D+01  0.335438D+01
      5   0.959167D+00  0.525903D+01  0.242818D+01  0.215683D+00 -0.245095D+01
      6   0.548837D+01  0.507458D+01  0.217099D+02 -0.549337D+01  0.348305D+01
                56            57            58            59            60 
      1  -0.431758D+02  0.730177D+01  0.122143D+02  0.159922D+02 -0.881009D+01
      2   0.367477D+02 -0.147300D+01 -0.115237D+02 -0.172170D+02  0.873453D+01
      3   0.642813D+01 -0.582877D+01 -0.690583D+00  0.122483D+01  0.755633D-01
      4  -0.494734D+02  0.774393D+01  0.132433D+02 -0.515073D+01 -0.748983D+00
      5   0.113227D+02 -0.115262D+02 -0.276793D+01 -0.224582D+01 -0.119176D+01
      6  -0.247056D+01  0.127582D+02  0.300099D+01  0.977823D+01  0.408165D+01
                61            62            63            64            65 
      1  -0.193705D+01 -0.520488D+01 -0.272874D+02  0.334278D+01 -0.125246D+01
      2   0.505894D+01  0.112462D+02  0.919143D+01 -0.420687D+00  0.258086D+01
      3  -0.312188D+01 -0.604128D+01  0.180960D+02 -0.292209D+01 -0.132840D+01
      4  -0.276483D+01  0.311716D+01 -0.550537D+01  0.930866D+01  0.101762D+02
      5  -0.213857D+01 -0.101079D+02  0.661733D+01 -0.268220D+01 -0.212398D+01
      6   0.635435D+01  0.186747D+02 -0.658076D+01 -0.173017D+01 -0.159950D+01
                66            67            68            69            70 
      1   0.272415D+00 -0.374807D+01 -0.138525D+02  0.315707D+01  0.162934D+00
      2   0.151884D+00  0.596522D+01  0.167518D+02 -0.146955D+01  0.283240D-01
      3  -0.424299D+00 -0.221715D+01 -0.289928D+01 -0.168752D+01 -0.191258D+00
      4  -0.163380D+01  0.135449D+02  0.180764D+02 -0.322644D+01 -0.274412D+01
      5   0.294604D+01 -0.338597D+01 -0.342637D+01  0.363399D+01  0.168424D+01
      6   0.145800D+01 -0.301976D+01 -0.591371D+01  0.506605D+01  0.216898D+01
                71            72            73            74            75 
      1   0.199798D+01 -0.270450D+01 -0.809439D+00  0.680108D+01 -0.817318D+00
      2  -0.193606D+01  0.216694D+01  0.100583D+02 -0.158534D+02  0.143186D+01
      3  -0.619238D-01  0.537560D+00 -0.924883D+01  0.905229D+01 -0.614541D+00
      4  -0.346076D+01  0.223263D+01 -0.216550D+02  0.218110D+02 -0.227372D+01
      5   0.775947D+00 -0.133081D+01  0.184874D+01 -0.231614D+01  0.302723D+01
      6   0.291616D+01 -0.201561D+01 -0.111899D+01  0.156623D+01 -0.275127D+01
                76            77            78            79            80 
      1   0.115201D+02 -0.280709D+02  0.340649D+01 -0.225304D+01  0.428476D+01
      2  -0.223183D+02  0.457627D+02 -0.425221D+01  0.410918D+01 -0.628706D+01
      3   0.107981D+02 -0.176919D+02  0.845725D+00 -0.185613D+01  0.200230D+01
      4   0.237695D+02 -0.325272D+02  0.366463D+01 -0.308341D+01  0.399653D+01
      5  -0.319909D+01  0.404431D+01 -0.361202D+01  0.235450D-01 -0.163148D+01
      6   0.361819D+01 -0.517353D+01  0.655285D+01  0.159669D+01  0.238693D+01
                81            82            83            84            85 
      1  -0.105364D+01 -0.550012D+01 -0.103785D+02  0.247474D+01 -0.953022D+01
      2   0.217942D+01  0.970245D+01  0.168870D+02 -0.274741D+01  0.137742D+02
      3  -0.112578D+01 -0.420233D+01 -0.650845D+01  0.272676D+00 -0.424397D+01
      4  -0.212849D+01  0.114898D+02  0.187316D+02 -0.334181D+01  0.125627D+02
      5   0.937638D+00 -0.133028D+01 -0.190501D+01  0.285993D+01 -0.138067D+01
      6  -0.173588D+01 -0.253798D+01 -0.400384D+01  0.335005D+01 -0.294870D+01
                86            87            88            89            90 
      1  -0.391921D+02  0.764858D+01  0.210124D+01  0.801241D+01 -0.184819D+01
      2   0.557310D+02 -0.850645D+01 -0.311162D+01 -0.104242D+02  0.230841D+01
      3  -0.165389D+02  0.857872D+00  0.101038D+01  0.241183D+01 -0.460218D+00
      4   0.263030D+02 -0.441792D+01 -0.314477D+01 -0.498753D+01  0.287022D+01
      5  -0.194957D+01  0.211371D+01  0.998724D+00  0.251902D+01 -0.133164D+01
      6  -0.106824D+02  0.856886D+01  0.609908D+00  0.399809D+01 -0.249964D+01
                91            92            93            94            95 
      1  -0.201641D+01  0.231632D+01 -0.138844D+02 -0.409156D+01 -0.259832D+01
      2   0.839862D+01  0.211786D+01  0.669458D+00  0.103424D+02 -0.989120D+01
      3  -0.638220D+01 -0.443418D+01  0.132149D+02 -0.625083D+01  0.124895D+02
      4  -0.355213D+01 -0.142545D+02 -0.353235D+01 -0.153994D+02  0.348975D+02
      5  -0.631965D+00 -0.455483D+01 -0.218254D+02  0.198172D+01 -0.137554D+02
      6  -0.372930D+01  0.169053D+01  0.109980D+01 -0.356641D+01  0.324868D+01
                96            97            98            99           100 
      1  -0.216582D+01  0.205051D+00 -0.417114D+01 -0.206301D+02 -0.729576D+02
      2   0.135400D+01 -0.134316D+02  0.854527D+01  0.206552D+02  0.404423D+02
      3   0.811821D+00  0.132265D+02 -0.437413D+01 -0.250509D-01  0.325152D+02
      4  -0.155962D+02 -0.634330D+01 -0.156663D+02 -0.432052D+01  0.116693D+02
      5  -0.608819D+01 -0.601750D+02  0.800455D+00  0.178732D+02  0.376354D+02
      6   0.394919D+01  0.257175D+01 -0.803376D+00 -0.138548D+01 -0.376965D+01
               101           102           103           104           105 
      1   0.771285D+01  0.283645D+02  0.406425D+01  0.300725D+02  0.860234D+01
      2  -0.347067D+01 -0.683108D+01 -0.551565D+01 -0.512152D+01  0.571577D+00
      3  -0.424217D+01 -0.215334D+02  0.145140D+01 -0.249510D+02 -0.917392D+01
      4   0.178572D+02  0.120755D+01  0.167813D+02 -0.149334D+02  0.232460D+02
      5   0.730287D+00  0.123386D+02 -0.219004D+00  0.153777D+02  0.780999D+01
      6  -0.114012D+02 -0.334090D+01 -0.659109D+01  0.403197D+01 -0.191894D+02
               106           107           108           109           110 
      1   0.358108D+01  0.821879D+01  0.203109D+02 -0.754397D+02 -0.240925D+02
      2   0.163848D+02 -0.321903D+01 -0.228285D+02  0.286270D+02  0.346494D+01
      3  -0.199659D+02 -0.499976D+01  0.251757D+01  0.468127D+02  0.206275D+02
      4   0.182678D+01  0.196783D+02  0.449822D+01 -0.408170D+02 -0.237559D+02
      5   0.394406D+02  0.181462D+01 -0.309039D+02  0.330164D+01 -0.103084D+01
      6  -0.357721D+01 -0.139530D+02 -0.701507D+01 -0.727003D+00  0.215724D+01
               111           112           113           114           115 
      1   0.289938D+01 -0.323060D+02 -0.146235D+02  0.893657D+01  0.328853D+02
      2  -0.251730D+01  0.702795D+01  0.514454D+01 -0.715591D+00 -0.148289D+02
      3  -0.382080D+00  0.252780D+02  0.947899D+01 -0.822098D+01 -0.180565D+02
      4   0.187517D+01 -0.108739D+02 -0.220794D+02  0.884599D+01  0.135569D+02
      5   0.288422D+00 -0.206367D+01  0.654276D+01 -0.347386D+01  0.225751D+02
      6  -0.384890D+01  0.310053D+01 -0.373060D+01  0.651265D+00  0.342312D+01
               116           117           118           119           120 
      1   0.624418D+01  0.226132D+02  0.704223D+01 -0.911518D+01  0.497587D+01
      2  -0.237949D+01 -0.297552D+01  0.285452D+01  0.124211D+00 -0.142583D+01
      3  -0.386469D+01 -0.196377D+02 -0.989675D+01  0.899097D+01 -0.355004D+01
      4   0.148349D+02  0.486684D+01 -0.199599D+02  0.203619D+02 -0.954298D+00
      5   0.309330D+01  0.194234D+01  0.569235D+01 -0.502628D+00  0.992961D+01
      6  -0.962980D+00 -0.131270D+01 -0.151539D+01  0.549825D+00 -0.939642D+00
               121           122           123           124           125 
      1  -0.167669D+02 -0.182043D+01 -0.365486D+00  0.650073D+01  0.176819D+01
      2   0.294946D+01  0.192435D+02 -0.299846D+01 -0.228463D+01 -0.466125D+01
      3   0.138174D+02 -0.174230D+02  0.336394D+01 -0.421609D+01  0.289305D+01
      4   0.229616D+02 -0.480180D+02  0.784830D+01 -0.286315D+01  0.110355D+02
      5  -0.191721D+01  0.711688D+01 -0.103375D+02  0.118538D+02 -0.768083D+01
      6   0.709573D+00 -0.265980D+01  0.449675D+01 -0.237805D+01  0.624783D+01
               126           127           128           129           130 
      1   0.246657D+01  0.653807D+00  0.626777D+01 -0.853327D+01  0.105180D+02
      2  -0.819168D+00 -0.275597D+00 -0.277244D+01  0.185521D+00 -0.690418D+01
      3  -0.164741D+01 -0.378209D+00 -0.349532D+01  0.834775D+01 -0.361387D+01
      4  -0.834139D+01  0.329760D+01 -0.488587D+01  0.161827D+01  0.111842D+01
      5   0.322839D+01 -0.136394D+01 -0.724098D+00 -0.448510D+01 -0.957386D+01
      6  -0.256689D+01 -0.297907D+01  0.471626D+01 -0.184064D+01  0.450742D+00
               131           132           133           134           135 
      1  -0.158249D+02  0.879030D+01 -0.381023D+01  0.511344D+01 -0.110942D+02
      2   0.573062D+01  0.373030D+01  0.105214D+01  0.170007D+01 -0.133594D+01
      3   0.100943D+02 -0.125206D+02  0.275809D+01 -0.681350D+01  0.124302D+02
      4   0.287060D+02 -0.155078D+02 -0.901803D+00 -0.107366D+02  0.800666D+01
      5  -0.116676D+02  0.167633D+02  0.199076D+01  0.642206D+01 -0.879491D+01
      6  -0.194341D+02  0.132624D+02  0.419142D+00  0.105931D+02 -0.682720D+01
               136           137           138           139           140 
      1   0.110147D+03 -0.599082D+01 -0.195593D+02 -0.404641D+01  0.598512D+01
      2  -0.657585D+02  0.268251D+01  0.184226D+02  0.111346D+01 -0.379550D+01
      3  -0.443887D+02  0.330831D+01  0.113677D+01  0.293295D+01 -0.218962D+01
      4  -0.133906D+02  0.123148D+02  0.376718D+01  0.139096D+02 -0.978344D+00
      5  -0.626939D+02  0.420278D+01  0.300843D+02  0.231346D+01 -0.640034D+01
      6   0.529986D+01 -0.434405D+01 -0.220594D+01 -0.417946D+01  0.212632D+00
               141           142           143           144           145 
      1  -0.471317D-01 -0.803386D+01 -0.112318D+01  0.812880D+01 -0.163980D+01
      2  -0.624332D-01  0.841937D+01  0.473501D-01 -0.679122D+01 -0.436057D+00
      3   0.109565D+00 -0.385513D+00  0.107583D+01 -0.133758D+01  0.207586D+01
      4  -0.519208D+01  0.164298D+00 -0.319020D+01 -0.719247D+00 -0.342983D+01
      5  -0.621984D+00  0.169761D+02 -0.773210D-01 -0.645567D+01 -0.242249D+01
      6   0.406534D+01 -0.722762D+00  0.267130D+01  0.110545D+01  0.427125D+01
               146           147           148           149           150 
      1  -0.101448D+02 -0.154430D+02 -0.905494D+01 -0.192161D+02 -0.172327D+02
      2   0.378562D+01  0.131037D+01  0.575832D+01  0.796473D+01 -0.256435D+00
      3   0.635918D+01  0.141326D+02  0.329662D+01  0.112514D+02  0.174891D+02
      4  -0.525741D+01 -0.330683D+01  0.226655D+01 -0.190188D+02 -0.181525D+02
      5  -0.946692D+00 -0.657466D+01  0.745263D+01 -0.143141D+02 -0.208509D+02
      6   0.700470D+01  0.632008D+01  0.372777D+00  0.182291D+02  0.192786D+02
               151           152           153           154           155 
      1  -0.647430D+01 -0.126840D+02 -0.244813D+02  0.166129D+03  0.356785D+02
      2   0.258983D+01  0.284412D-01 -0.351736D+01 -0.737974D+02 -0.100835D+02
      3   0.388447D+01  0.126556D+02  0.279987D+02 -0.923320D+02 -0.255950D+02
      4   0.183003D+01 -0.139544D+02 -0.145341D+02  0.606837D+02  0.427672D+02
      5   0.425432D+01 -0.125857D+02 -0.229017D+02  0.112288D+02  0.446321D+01
      6   0.438381D+00  0.151768D+02  0.176249D+02  0.206352D+00  0.964611D+00
               156           157           158           159           160 
      1  -0.527945D+01  0.478247D+02  0.334607D+02 -0.403608D+01 -0.852710D+01
      2  -0.132366D+01 -0.107102D+02 -0.224989D+01 -0.643174D+00  0.421869D+00
      3   0.660311D+01 -0.371146D+02 -0.312108D+02  0.467926D+01  0.810523D+01
      4   0.870097D+00  0.603649D+02  0.507328D+02 -0.494817D+01 -0.529518D+01
      5   0.302968D+02  0.150430D+01 -0.223660D+00  0.139026D+02  0.297344D+02
      6   0.540880D+01  0.355295D+01  0.332198D+01  0.632381D+01  0.664010D+01
               161           162           163           164           165 
      1  -0.315298D+01  0.179101D+02  0.427648D+02  0.134398D+02  0.115273D+02
      2  -0.104707D+01 -0.101861D+02 -0.276648D+02 -0.493230D+01 -0.872489D+01
      3   0.420005D+01 -0.772399D+01 -0.151001D+02 -0.850749D+01 -0.280237D+01
      4  -0.922519D+01  0.113320D+02  0.229245D+02  0.110385D+02  0.191840D+01
      5   0.103647D+02 -0.812844D+01  0.267259D+02  0.342249D+01  0.172987D+02
      6   0.529002D+01 -0.417042D+00  0.974470D+01  0.173245D+01  0.747803D+00
               166           167           168           169           170 
      1   0.186390D+02 -0.524755D+01 -0.828282D+01 -0.670593D+01 -0.683816D+01
      2  -0.955445D+01  0.258576D+01  0.143827D+01 -0.185678D+01  0.193676D+01
      3  -0.908452D+01  0.266180D+01  0.684456D+01  0.856271D+01  0.490140D+01
      4   0.117357D+02  0.727686D+01  0.112569D+02 -0.307750D+01  0.268096D+01
      5   0.111734D+02  0.120647D+02  0.107616D+02  0.155083D+02  0.413137D+01
      6   0.275819D+01  0.677810D+01  0.118897D+02  0.192957D+00  0.990349D+01
               171           172           173           174           175 
      1  -0.283333D+02 -0.441179D+02 -0.846453D+01  0.842261D+01 -0.199590D+02
      2  -0.154196D+02  0.246218D+02  0.379196D+01  0.395865D+01  0.131759D+02
      3   0.437529D+02  0.194961D+02  0.467257D+01 -0.123813D+02  0.678315D+01
      4   0.259986D+01 -0.197324D+02 -0.799948D+01 -0.194175D+01 -0.102858D+02
      5   0.455345D+02 -0.207497D+02 -0.471167D+01 -0.141822D+02 -0.119485D+02
      6   0.824225D+01 -0.781929D+01 -0.433446D+01 -0.257480D+01 -0.409540D+01
               176           177           178           179           180 
      1  -0.865515D+01  0.193286D+01 -0.319538D+01  0.814838D+00 -0.115067D+02
      2   0.468787D+01  0.333142D+01  0.901639D+01  0.620295D+00  0.402812D+01
      3   0.396728D+01 -0.526429D+01 -0.582101D+01 -0.143513D+01  0.747856D+01
      4  -0.418882D+01  0.122987D+01 -0.564723D+01 -0.360474D+00 -0.423742D+01
      5   0.235026D+00 -0.877802D+01 -0.102143D+02 -0.199231D+01 -0.675358D+00
      6  -0.251943D+01  0.192057D+01 -0.287479D+01  0.147627D+01 -0.246637D+01
               181           182           183           184           185 
      1   0.396392D+02  0.584985D+02 -0.125376D+02 -0.371358D+02  0.236067D+02
      2  -0.258269D+02 -0.444010D+02  0.453831D+01  0.249378D+02 -0.246341D+02
      3  -0.138124D+02 -0.140975D+02  0.799929D+01  0.121980D+02  0.102748D+01
      4   0.132272D+02  0.319438D+02 -0.696164D+01  0.166979D+02  0.251741D+02
      5   0.360423D+00 -0.100161D+02  0.152095D+02  0.230166D+01 -0.109274D+02
      6  -0.173173D+01  0.710485D+01 -0.135368D+02 -0.667511D+01  0.929900D+01
               186           187           188           189           190 
      1  -0.315326D+01  0.683741D+01 -0.105728D+02  0.479610D+00  0.109909D+03
      2   0.493546D+01 -0.128051D+02  0.146617D+02 -0.518605D+01 -0.611002D+02
      3  -0.178220D+01  0.596773D+01 -0.408893D+01  0.470644D+01 -0.488092D+02
      4  -0.112126D+02 -0.206076D+01 -0.132266D+02 -0.200321D+02 -0.145188D+02
      5  -0.740957D+01  0.299370D+02 -0.181795D+02  0.834852D+01  0.626775D+01
      6   0.505863D+01 -0.221287D+02  0.166659D+02 -0.100702D+00  0.221744D-01
               191           192           193           194           195 
      1  -0.267342D+02 -0.369046D+00 -0.819794D+02 -0.390953D+02  0.161232D+02
      2   0.958424D+01 -0.100500D+01  0.449690D+02  0.433267D+02 -0.169421D+02
      3   0.171500D+02  0.137405D+01  0.370103D+02 -0.423144D+01  0.818853D+00
      4   0.124659D+02 -0.689574D+00 -0.409144D+02 -0.545525D+02  0.102780D+02
      5  -0.747549D+00  0.729142D+01  0.175677D+02  0.951284D+01 -0.741068D+01
      6   0.260967D+01 -0.224308D+01  0.161549D+01 -0.115558D+02 -0.436762D+01
               196           197           198           199           200 
      1   0.143182D+02  0.116742D+02  0.194234D+02 -0.113812D+03 -0.617089D+01
      2  -0.871924D+01 -0.983116D+01 -0.176603D+02  0.541164D+02  0.120029D+02
      3  -0.559896D+01 -0.184309D+01 -0.176318D+01  0.596954D+02 -0.583206D+01
      4   0.164535D+02  0.601233D+01 -0.826554D+01 -0.125924D+02 -0.235312D+02
      5   0.447745D+02 -0.143000D+02  0.176331D+01  0.371287D+01  0.101474D+02
      6  -0.448357D+01  0.789490D+01  0.334303D+01  0.725050D+01 -0.468049D+01
               201           202           203           204           205 
      1   0.827173D+01  0.110020D+03  0.497305D+01 -0.888166D+01 -0.126351D+02
      2  -0.552184D+01 -0.692093D+02 -0.151784D+02  0.863181D+01  0.988265D+01
      3  -0.274989D+01 -0.408105D+02  0.102053D+02  0.249847D+00  0.275245D+01
      4   0.810311D+01  0.155943D+02  0.222990D+02  0.150284D+01  0.563745D+00
      5   0.496936D+01 -0.328135D+01  0.215496D+01  0.131935D+02  0.616232D+01
      6   0.160162D+01  0.368261D+01  0.951366D+01  0.629938D+01  0.249511D+01
               206           207           208           209           210 
      1  -0.483872D+00 -0.110470D+02  0.185483D+02 -0.499064D+01  0.256599D+01
      2   0.343673D+01 -0.620283D+01 -0.101851D+02  0.222056D+01  0.812220D+00
      3  -0.295286D+01  0.172498D+02 -0.836319D+01  0.277008D+01 -0.337821D+01
      4   0.596056D+01  0.183178D+02 -0.194504D+02  0.111580D+02  0.277397D+01
      5   0.216888D+02 -0.884567D+01  0.164845D+01  0.198787D+01  0.202655D+02
      6   0.749151D+01  0.875343D+00  0.169338D+01 -0.839230D+00  0.809769D+00
               211           212           213           214           215 
      1  -0.166078D+02  0.171744D+01  0.299491D+01  0.307796D+01 -0.680222D-01
      2   0.680887D+01  0.187588D+01  0.236908D+01 -0.127750D+01  0.123139D+01
      3   0.979892D+01 -0.359332D+01 -0.536400D+01 -0.180046D+01 -0.116337D+01
      4   0.284731D+02 -0.226812D+02  0.422204D+01 -0.254885D+01  0.156385D+01
      5  -0.702488D+00  0.570845D+01  0.115029D+02  0.106973D+02 -0.651270D+01
      6  -0.585185D+00  0.279253D+01  0.908165D+01 -0.214419D+01  0.418150D+01
               216           217           218           219           220 
      1   0.278056D+01 -0.814094D+02  0.241129D+02  0.311430D+01  0.385734D+02
      2  -0.162346D+01  0.448308D+02 -0.121848D+02 -0.930086D+00 -0.184563D+02
      3  -0.115711D+01  0.365786D+02 -0.119281D+02 -0.218421D+01 -0.201171D+02
      4  -0.701725D+01  0.291486D+02  0.175719D+02 -0.672472D+01 -0.841984D+01
      5  -0.239944D+01  0.192281D+01 -0.656194D+01  0.964370D+01 -0.857449D+01
      6  -0.246250D+01 -0.341836D+01 -0.100297D+01  0.272855D+01 -0.353242D+01
               221           222           223           224           225 
      1   0.889485D+01 -0.100471D+02 -0.153740D+01 -0.588970D+01  0.161409D+02
      2  -0.668774D+01 -0.418323D+01 -0.383733D+01 -0.312157D+01 -0.637599D+01
      3  -0.220710D+01  0.142303D+02  0.537472D+01  0.901127D+01 -0.976490D+01
      4  -0.908765D+01 -0.200328D+02 -0.663605D+01 -0.166175D+02 -0.387871D+02
      5  -0.203602D+02 -0.636514D+02 -0.105774D+02 -0.377393D+02  0.259039D+02
      6  -0.464221D+01 -0.155662D+02 -0.855611D+01 -0.106453D+02  0.776796D+01
               226           227           228           229           230 
      1  -0.914906D+01 -0.182418D+02  0.429321D+01 -0.105647D+02 -0.463662D+02
      2   0.955735D+01  0.195302D+02 -0.322354D+01  0.115745D+02  0.552283D+02
      3  -0.408283D+00 -0.128837D+01 -0.106967D+01 -0.100977D+01 -0.886207D+01
      4   0.401122D+01  0.647645D+01 -0.986579D+00  0.312418D+01 -0.362187D+01
      5  -0.463180D+00 -0.516953D+00  0.128116D+01  0.105658D+00  0.208960D+01
      6  -0.272514D+01 -0.501267D+01  0.356862D+01 -0.301012D+01 -0.133423D+02
               231           232           233           234           235 
      1   0.941499D+01  0.273975D+01  0.969033D+01 -0.194906D+01  0.178202D+02
      2  -0.831067D+01 -0.298981D+01 -0.102375D+02  0.229371D+01  0.149822D+01
      3  -0.110432D+01  0.250063D+00  0.547130D+00 -0.344653D+00 -0.193184D+02
      4   0.944982D+00 -0.438142D+00  0.595194D+00  0.935945D+00 -0.374560D+02
      5  -0.143920D+01  0.219210D+01  0.724690D-01 -0.340499D+00  0.608063D+01
      6   0.888726D+01 -0.586753D-01  0.492281D+01 -0.264974D+01 -0.279735D+01
               236           237           238           239           240 
      1  -0.980880D+01  0.104779D+01 -0.750741D+01 -0.368591D+01  0.265181D+00
      2  -0.738258D+01  0.107829D+00 -0.133400D+02  0.307177D+02 -0.188270D+01
      3   0.171914D+02 -0.115562D+01  0.208474D+02 -0.270318D+02  0.161752D+01
      4   0.372673D+02 -0.385236D+01  0.438618D+02 -0.601937D+02  0.695698D+01
      5  -0.540115D+01  0.547569D+01 -0.797529D+01  0.948413D+01 -0.720671D+01
      6   0.299878D+01 -0.353616D+01  0.599640D+01 -0.787102D+01  0.708215D+01
               241           242           243           244           245 
      1  -0.131494D+00  0.905899D+00 -0.164968D+01  0.193514D+02  0.122960D+02
      2   0.315793D+01 -0.387526D+01  0.215307D+01 -0.761983D+01 -0.413609D+01
      3  -0.302644D+01  0.296936D+01 -0.503393D+00 -0.117316D+02 -0.815987D+01
      4  -0.545595D+01  0.750841D+01 -0.331455D+01  0.212736D+02  0.150771D+02
      5  -0.382586D+00 -0.284740D+01  0.165853D+01 -0.468820D+01 -0.302817D+01
      6   0.794289D+00  0.302158D+01 -0.183552D+01 -0.118778D+01 -0.112635D+01
               246           247           248           249           250 
      1  -0.327446D+01  0.139022D+02 -0.406483D+00 -0.654487D+00 -0.374664D+01
      2   0.157922D+01 -0.116527D+01  0.113883D+02 -0.382361D+00  0.144490D+01
      3   0.169524D+01 -0.127369D+02 -0.109818D+02  0.103685D+01  0.230175D+01
      4  -0.369627D+01  0.256620D+02  0.358458D+02 -0.719680D+01 -0.585461D+01
      5   0.273085D+01 -0.493280D+01 -0.581357D+01  0.519631D+01  0.189236D+01
      6   0.106147D+01 -0.237728D+01 -0.403027D+01  0.447764D+01  0.223386D+01
               251           252           253           254           255 
      1  -0.106099D+01 -0.634104D+00 -0.517963D+00  0.182369D+00 -0.111335D+02
      2  -0.112848D+01  0.155905D+01 -0.609795D+00 -0.420592D+00  0.315060D+01
      3   0.218947D+01 -0.924947D+00  0.112776D+01  0.238223D+00  0.798286D+01
      4  -0.759028D+01  0.168985D+01 -0.311117D+01 -0.227247D+01 -0.457801D+00
      5   0.187271D+00 -0.935002D+00 -0.624360D+01 -0.464937D-02 -0.713342D+01
      6   0.162582D+01 -0.165900D+01 -0.112448D+01  0.942191D+00 -0.277995D+01
               256           257           258           259           260 
      1   0.432672D+01  0.304016D+00  0.134759D+01 -0.296022D+02 -0.221577D+01
      2  -0.262337D+01  0.717298D+00  0.654214D+00  0.201013D+02  0.259177D+01
      3  -0.170335D+01 -0.102131D+01 -0.200180D+01  0.950088D+01 -0.376000D+00
      4   0.148502D+02  0.168693D+02 -0.154163D+02 -0.162037D+02 -0.163296D+02
      5  -0.100168D+02 -0.142130D+02  0.273916D+02  0.307594D+02  0.225951D+02
      6  -0.356132D+01 -0.633334D+01  0.109938D+02  0.801253D+01  0.969973D+01
               261           262           263           264           265 
      1  -0.440655D+01  0.201114D+03 -0.144150D+02 -0.799222D+01 -0.398472D+02
      2  -0.114466D+02 -0.105808D+03  0.853791D+01  0.510490D+01  0.219556D+02
      3   0.158532D+02 -0.953058D+02  0.587705D+01  0.288731D+01  0.178916D+02
      4   0.244742D+02 -0.500182D+01  0.156078D+02  0.944762D+00  0.196340D+02
      5  -0.648553D+02 -0.118009D+02  0.156137D+01  0.179699D+02  0.303939D+01
      6  -0.154746D+02  0.182103D+01 -0.919834D+00  0.609530D+00 -0.138400D+01
               266           267           268           269           270 
      1   0.179295D+02  0.179342D+01 -0.334228D+01  0.523673D+00  0.141035D+02
      2  -0.870026D+01 -0.870294D+00  0.269246D+01  0.177508D+00 -0.859312D+01
      3  -0.922926D+01 -0.923122D+00  0.649825D+00 -0.701181D+00 -0.551042D+01
      4  -0.925787D+01  0.541876D+00  0.869984D+00  0.150906D+01  0.196887D+01
      5   0.234926D+00 -0.258226D+01  0.212813D+02  0.119935D+01 -0.391209D+01
      6   0.990614D+00  0.142531D+01  0.341459D+00  0.196593D+01 -0.347148D+00
               271           272           273           274           275 
      1   0.706292D+01  0.462984D+01  0.862931D+01  0.183874D+02  0.659292D+01
      2  -0.270473D+01 -0.240996D+01 -0.455441D+01 -0.553831D+01  0.579625D+01
      3  -0.435818D+01 -0.221988D+01 -0.407490D+01 -0.128491D+02 -0.123892D+02
      4   0.291951D+01  0.149254D+01  0.228379D+01  0.302774D+02  0.406142D+02
      5   0.846120D+01  0.141396D+01 -0.381187D+01  0.142858D+02  0.242443D+02
      6   0.204593D+01 -0.132796D+00 -0.188344D+01  0.539356D+01  0.843813D+01
               276           277           278           279 
      1   0.249439D+01  0.311151D+02  0.622135D+01 -0.238503D+00
      2   0.340533D+01 -0.140847D+02  0.584226D+00 -0.127100D+01
      3  -0.589972D+01 -0.170304D+02 -0.680558D+01  0.150950D+01
      4   0.245776D+02  0.228886D+02  0.268862D+02  0.261347D+02
      5   0.292620D+02  0.210274D+02  0.255170D+02  0.351652D+02
      6   0.939705D+01  0.741998D+01  0.919542D+01  0.983828D+01
 Leave Link  716 at Fri Aug 13 00:43:17 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.293839D+03 -0.115655D+02 -0.995775D+01
      2  -0.115655D+02  0.177482D+03 -0.821138D+01
      3  -0.995775D+01 -0.821138D+01  0.122751D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.102953D+02  0.196925D+02 -0.160355D+02
      2  -0.245734D+02 -0.127292D+02 -0.259304D+02
      3   0.489758D+02 -0.609737D+02  0.205019D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.318044D+03 -0.943191D+02 -0.143100D+02
      2  -0.141528D+03  0.773637D+02 -0.133292D+02
      3  -0.176516D+03  0.169554D+02  0.276392D+02
      4  -0.171513D+02  0.125372D+03 -0.422480D+02
      5   0.484395D+02 -0.509463D+02 -0.551442D+02
      6  -0.240064D+02  0.411453D+02  0.263413D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.356375D+02  0.728965D+01  0.640966D+00 -0.368796D+02  0.117825D+02
      2   0.728965D+01 -0.324676D+01  0.847900D-02  0.117825D+02 -0.109076D+02
      3   0.640966D+00  0.847900D-02  0.775162D-01  0.556571D-01  0.113619D+01
                 6             7             8             9            10 
      1   0.556571D-01  0.935281D+01 -0.291329D+01 -0.911536D+00  0.436043D+02
      2   0.113619D+01 -0.291329D+01  0.181360D+01 -0.135239D+01 -0.100804D+02
      3   0.389442D+00 -0.911536D+00 -0.135239D+01  0.577455D+00 -0.783599D+00
                11            12            13            14            15 
      1  -0.100804D+02 -0.783599D+00  0.343607D+02 -0.102505D+02  0.350637D-01
      2   0.693744D+01 -0.702613D+00 -0.102505D+02  0.881142D+01 -0.807120D+00
      3  -0.702613D+00 -0.367372D+00  0.350637D-01 -0.807120D+00 -0.313324D+00
                16            17            18            19            20 
      1  -0.902459D+01  0.286725D+01  0.151218D+01  0.323720D+02 -0.737297D+01
      2   0.286725D+01 -0.172657D+01  0.114359D+01 -0.737297D+01  0.498726D+01
      3   0.151218D+01  0.114359D+01 -0.383875D+00 -0.318609D+00 -0.606139D+00
                21            22            23            24            25 
      1  -0.318609D+00 -0.237919D+02  0.378324D+01 -0.819782D-01  0.287251D+01
      2  -0.606139D+00  0.378324D+01 -0.570247D+01 -0.684285D-01 -0.771878D+00
      3   0.463323D-01 -0.819782D-01 -0.684285D-01 -0.171580D+01 -0.107923D+01
                26            27            28            29            30 
      1  -0.771878D+00 -0.107923D+01 -0.434637D+02  0.600916D+01  0.466687D+00
      2  -0.351380D+00 -0.285961D+01  0.600916D+01 -0.315502D+01 -0.237862D+00
      3  -0.285961D+01  0.167694D+01  0.466687D+00 -0.237862D+00 -0.212292D+01
                31            32            33            34            35 
      1   0.123402D+02 -0.127218D+01 -0.155008D+01 -0.466897D+01 -0.892309D+00
      2  -0.127218D+01  0.988626D+01 -0.154316D+01 -0.892309D+00 -0.921660D+00
      3  -0.155008D+01 -0.154316D+01  0.264299D+00 -0.642723D+01  0.118331D+01
                36            37            38            39            40 
      1  -0.642723D+01 -0.232398D+01 -0.590135D+00  0.223742D+00  0.102314D+02
      2   0.118331D+01 -0.590135D+00 -0.103231D+02  0.167303D+01 -0.256036D+01
      3   0.220383D+00  0.223742D+00  0.167303D+01 -0.246696D+01 -0.438963D+00
                41            42            43            44            45 
      1  -0.256036D+01 -0.438963D+00 -0.213973D+01 -0.273236D+00 -0.480380D+01
      2  -0.143327D+01  0.134896D+01 -0.273236D+00  0.226818D+01  0.315319D+01
      3   0.134896D+01  0.149413D+01 -0.480380D+01  0.315319D+01 -0.769297D+00
                46            47            48            49            50 
      1   0.808262D+01 -0.187443D+01  0.649998D-01  0.578827D+00 -0.140237D+01
      2  -0.187443D+01  0.814211D+01 -0.578403D+00 -0.140237D+01  0.480889D+00
      3   0.649998D-01 -0.578403D+00  0.234446D+01  0.560672D+00  0.100038D+01
                51            52            53            54            55 
      1   0.560672D+00 -0.261136D+00  0.754931D+00  0.117664D+01 -0.135876D+02
      2   0.100038D+01  0.754931D+00  0.924043D+00  0.380760D+01  0.418288D+01
      3   0.993439D+00  0.117664D+01  0.380760D+01 -0.196918D+01 -0.126553D+00
                56            57            58            59            60 
      1   0.418288D+01 -0.126553D+00  0.378095D+01 -0.444755D+00 -0.665442D+00
      2  -0.109435D+02  0.110609D+01 -0.444755D+00  0.111760D+01 -0.111694D+01
      3   0.110609D+01 -0.242432D+01 -0.665442D+00 -0.111694D+01 -0.101275D+01
                61            62            63            64            65 
      1  -0.178876D+00 -0.806607D+00 -0.167768D+01 -0.243202D+01 -0.232174D+01
      2  -0.806607D+00 -0.769530D+00 -0.343137D+01 -0.232174D+01 -0.142905D+01
      3  -0.167768D+01 -0.343137D+01  0.202807D+01  0.548543D+00  0.326238D+00
                66            67            68            69            70 
      1   0.548543D+00 -0.316123D+01 -0.289442D+01  0.730902D+00  0.833715D+00
      2   0.326238D+00 -0.289442D+01 -0.497994D+01  0.999272D+00  0.682748D+00
      3  -0.437006D+00  0.730902D+00  0.999272D+00 -0.915629D+00 -0.235357D+00
                71            72            73            74            75 
      1   0.682748D+00 -0.235357D+00 -0.445660D+01  0.314159D+01 -0.238006D+00
      2   0.944814D+00 -0.325569D+00  0.314159D+01 -0.334023D+01  0.350088D+00
      3  -0.325569D+00  0.251923D+00 -0.238006D+00  0.350088D+00 -0.312863D+00
                76            77            78            79            80 
      1   0.341116D+01 -0.447938D+01  0.661691D+00 -0.256172D+00  0.705874D+00
      2  -0.447938D+01  0.764595D+01 -0.881902D+00  0.705874D+00 -0.109966D+01
      3   0.661691D+00 -0.881902D+00  0.796490D+00  0.415846D+00  0.241038D+00
                81            82            83            84            85 
      1   0.415846D+00  0.174668D+01  0.214536D+01 -0.482764D+00  0.111214D+01
      2   0.241038D+00  0.214536D+01  0.317300D+01 -0.659127D+00  0.251378D+01
      3  -0.208885D+00 -0.482764D+00 -0.659127D+00  0.433035D+00 -0.463491D+00
                86            87            88            89            90 
      1   0.251378D+01 -0.463491D+00 -0.319685D+00 -0.549926D+00  0.156000D+00
      2   0.872631D+01 -0.158785D+01 -0.549926D+00 -0.182154D+01  0.367338D+00
      3  -0.158785D+01  0.106285D+01  0.156000D+00  0.367338D+00 -0.235581D+00
                91            92            93            94            95 
      1   0.137559D+02 -0.166843D+01  0.259664D+00  0.398134D+01  0.958076D+00
      2  -0.166843D+01  0.139168D+01  0.731095D+00  0.958076D+00 -0.331913D+01
      3   0.259664D+00  0.731095D+00  0.308249D+01  0.349389D+00  0.191291D+01
                96            97            98            99           100 
      1   0.349389D+00 -0.261053D+01  0.118294D+01  0.773908D+01  0.842849D+01
      2   0.191291D+01  0.118294D+01  0.159149D+01  0.432998D-01 -0.659730D+00
      3   0.127743D+01  0.773908D+01  0.432998D-01 -0.190659D+01 -0.166860D+01
               101           102           103           104           105 
      1  -0.659730D+00 -0.166860D+01 -0.210371D+01 -0.171608D+01 -0.842689D-01
      2  -0.169255D+01 -0.500785D+00 -0.171608D+01  0.147701D+01 -0.344880D+01
      3  -0.500785D+00 -0.254527D+01 -0.842689D-01 -0.344880D+01 -0.153559D+01
               106           107           108           109           110 
      1   0.563589D+01 -0.869966D+00 -0.531824D+01  0.611279D+01  0.343113D+01
      2  -0.869966D+00 -0.234304D+01 -0.695300D+00  0.343113D+01  0.999537D+00
      3  -0.531824D+01 -0.695300D+00  0.301054D+01 -0.128461D+01 -0.378387D+00
               111           112           113           114           115 
      1  -0.128461D+01  0.653467D+00  0.127360D+01 -0.890845D+00 -0.709245D+01
      2  -0.378387D+00  0.127360D+01  0.468555D+00 -0.898058D+00 -0.119195D+01
      3  -0.136057D+01 -0.890845D+00 -0.898058D+00 -0.631253D+00 -0.380085D+01
               116           117           118           119           120 
      1  -0.119195D+01 -0.380085D+01 -0.424367D+00  0.200657D+01 -0.650037D+00
      2  -0.158793D+01 -0.802100D-01  0.200657D+01 -0.178491D+01  0.232723D-01
      3  -0.802100D-01  0.138087D+00 -0.650037D+00  0.232723D-01 -0.113954D+01
               121           122           123           124           125 
      1   0.422681D+01 -0.221802D+01  0.188922D+00 -0.120124D+01  0.126639D+00
      2  -0.221802D+01  0.580500D+01 -0.962080D+00  0.126639D+00 -0.124612D+01
      3   0.188922D+00 -0.962080D+00  0.137071D+01 -0.142352D+01  0.102453D+01
               126           127           128           129           130 
      1  -0.142352D+01  0.114106D+00 -0.608753D+00  0.185673D+00 -0.204806D+01
      2   0.102453D+01 -0.608753D+00  0.779312D+00 -0.279310D+00  0.880869D-01
      3  -0.384861D+00  0.185673D+00 -0.279310D+00  0.120730D+01  0.575190D+00
               131           132           133           134           135 
      1   0.880869D-01  0.575190D+00  0.313860D+00  0.923937D-01  0.228117D+00
      2  -0.398651D+01  0.218594D+01  0.923937D-01  0.155638D+01 -0.115655D+01
      3   0.218594D+01 -0.265233D+01  0.228117D+00 -0.115655D+01  0.172320D+01
               136           137           138           139           140 
      1  -0.149774D+02  0.785379D+00  0.363574D+01  0.422953D+00 -0.111523D+01
      2   0.785379D+00 -0.871792D+00 -0.305211D+00 -0.111523D+01  0.370532D-01
      3   0.363574D+01 -0.305211D+00 -0.245413D+01 -0.228969D+00  0.626737D+00
               141           142           143           144           145 
      1  -0.228969D+00  0.127085D+01  0.677916D-01 -0.119171D+01 -0.239582D-01
      2   0.626737D+00  0.677916D-01  0.924386D-01  0.606993D-01  0.780556D+00
      3   0.125492D+00 -0.119171D+01  0.606993D-01  0.278990D+00  0.704130D+00
               146           147           148           149           150 
      1   0.780556D+00  0.704130D+00  0.146594D+01  0.163210D+00 -0.263469D+00
      2   0.102339D+01  0.823080D+00  0.163210D+00  0.298224D+01  0.276023D+01
      3   0.823080D+00  0.197413D+01 -0.263469D+00  0.276023D+01  0.361087D+01
               151           152           153           154           155 
      1   0.353193D+00  0.630373D-01  0.254951D+00 -0.172880D+02 -0.455427D+01
      2   0.630373D-01  0.211885D+01  0.230011D+01 -0.455427D+01 -0.250538D+01
      3   0.254951D+00  0.230011D+01  0.435488D+01  0.484877D+00 -0.278306D+00
               156           157           158           159           160 
      1   0.484877D+00 -0.723803D+01 -0.528598D+01  0.327564D+00  0.863977D+00
      2  -0.278306D+00 -0.528598D+01 -0.391470D+01  0.353878D+00  0.427541D+00
      3  -0.236702D+01  0.327564D+00  0.353878D+00 -0.105288D+01 -0.228021D+01
               161           162           163           164           165 
      1   0.427541D+00 -0.228021D+01 -0.109883D+02 -0.262789D+01 -0.316665D+01
      2   0.102440D+01 -0.103397D+01 -0.262789D+01 -0.234045D+00  0.241069D-01
      3  -0.103397D+01  0.137867D+01 -0.316665D+01  0.241069D-01 -0.101607D+01
               166           167           168           169           170 
      1  -0.575174D+01 -0.728343D+00 -0.952274D+00  0.105387D-01  0.166741D+00
      2  -0.728343D+00 -0.813202D+00 -0.164890D+01  0.166741D+00 -0.407732D+00
      3  -0.952274D+00 -0.164890D+01 -0.188986D+01 -0.861116D+00 -0.109913D+01
               171           172           173           174           175 
      1  -0.861116D+00  0.102760D+02  0.228992D+01  0.149476D+01  0.696364D+01
      2  -0.109913D+01  0.228992D+01  0.623147D+00  0.395474D+00  0.931414D+00
      3  -0.710422D+01  0.149476D+01  0.395474D+00  0.270045D+01  0.138152D+01
               176           177           178           179           180 
      1   0.931414D+00  0.138152D+01  0.495692D+01  0.615953D+00  0.233773D+01
      2   0.375301D+00 -0.462495D+00  0.615953D+00 -0.976711D+00  0.601551D+00
      3  -0.462495D+00  0.146947D+01  0.233773D+01  0.601551D+00 -0.880418D+00
               181           182           183           184           185 
      1   0.115965D+02 -0.763458D+00 -0.212482D+00 -0.791080D+01  0.250067D+01
      2  -0.763458D+00  0.114729D+02 -0.196147D+01  0.250067D+01  0.327240D+01
      3  -0.212482D+00 -0.196147D+01  0.269639D+01  0.723212D+00 -0.177941D+01
               186           187           188           189           190 
      1   0.723212D+00  0.125740D+01  0.159326D+00  0.452496D+01  0.326350D+02
      2  -0.177941D+01  0.159326D+00 -0.272586D+01 -0.323300D+01 -0.571320D+01
      3  -0.141375D+01  0.452496D+01 -0.323300D+01  0.830043D+00 -0.265396D+00
               191           192           193           194           195 
      1  -0.571320D+01 -0.265396D+00 -0.200778D+02  0.162822D+01  0.212194D+01
      2   0.559441D+01 -0.717363D-01  0.162822D+01 -0.145788D+02  0.213189D+01
      3  -0.717363D-01  0.388850D+01  0.212194D+01  0.213189D+01 -0.158534D+01
               196           197           198           199           200 
      1   0.239879D+01  0.115240D+01  0.622832D+01 -0.357578D+02  0.880044D+01
      2   0.115240D+01  0.165332D+01 -0.213960D+01  0.880044D+01 -0.860175D+01
      3   0.622832D+01 -0.213960D+01 -0.179752D+00  0.647990D+00  0.136925D+01
               201           202           203           204           205 
      1   0.647990D+00  0.240351D+02 -0.308082D+01 -0.685655D+00 -0.187142D+01
      2   0.136925D+01 -0.308082D+01  0.747522D+01 -0.338650D-01  0.311499D+00
      3  -0.954810D-01 -0.685655D+00 -0.338650D-01  0.264345D+01  0.513918D+00
               206           207           208           209           210 
      1   0.311499D+00  0.513918D+00 -0.678001D+01 -0.713488D-01  0.352633D+00
      2   0.546937D+00  0.345876D+01 -0.713488D-01 -0.231947D+01  0.301508D+00
      3   0.345876D+01 -0.187231D+01  0.352633D+00  0.301508D+00 -0.639636D+00
               211           212           213           214           215 
      1  -0.667426D+00  0.161405D+01 -0.114292D+00  0.588476D+00 -0.283083D+00
      2   0.161405D+01 -0.203160D+01  0.387061D+00 -0.283083D+00  0.383409D+00
      3  -0.114292D+00  0.387061D+00  0.101529D+01  0.262125D+00 -0.496283D+00
               216           217           218           219           220 
      1   0.262125D+00 -0.183071D+01  0.233003D+01 -0.290017D+00  0.406852D+01
      2  -0.496283D+00  0.233003D+01  0.229235D+01 -0.642705D+00 -0.106193D+01
      3  -0.239940D-01 -0.290017D+00 -0.642705D+00  0.141599D+01 -0.737599D+00
               221           222           223           224           225 
      1  -0.106193D+01 -0.737599D+00 -0.783015D+00 -0.499509D+00 -0.117362D+01
      2   0.374327D+00 -0.182322D+01 -0.499509D+00 -0.170040D+01 -0.347687D+01
      3  -0.182322D+01 -0.540245D+01 -0.117362D+01 -0.347687D+01  0.251307D+01
               226           227           228           229           230 
      1  -0.137925D+01 -0.175432D+01  0.417581D+00 -0.634192D+00 -0.202085D+01
      2  -0.175432D+01 -0.322389D+01  0.656783D+00 -0.202085D+01 -0.842065D+01
      3   0.417581D+00  0.656783D+00 -0.442577D+00  0.408139D+00  0.152098D+01
               231           232           233           234           235 
      1   0.408139D+00  0.248229D+00  0.511687D+00  0.137570D+00  0.477070D+01
      2   0.152098D+01  0.511687D+00  0.166678D+01 -0.495311D+00 -0.379380D+01
      3  -0.107913D+01  0.137570D+00 -0.495311D+00  0.267050D+00  0.381968D+00
               236           237           238           239           240 
      1  -0.379380D+01  0.381968D+00 -0.434832D+01  0.522975D+01 -0.790919D+00
      2   0.398115D+01 -0.406085D+00  0.522975D+01 -0.796571D+01  0.934351D+00
      3  -0.406085D+00  0.512408D+00 -0.790919D+00  0.934351D+00 -0.897577D+00
               241           242           243           244           245 
      1   0.392837D+00 -0.740389D+00 -0.311946D+00  0.314099D+01  0.255252D+01
      2  -0.740389D+00  0.109018D+01 -0.261030D+00  0.255252D+01  0.139346D+01
      3  -0.311946D+00 -0.261030D+00  0.232403D+00 -0.649284D+00 -0.396712D+00
               246           247           248           249           250 
      1  -0.649284D+00  0.374856D+01  0.298751D+01 -0.752245D+00 -0.882147D+00
      2  -0.396712D+00  0.298751D+01  0.509606D+01 -0.105427D+01 -0.719271D+00
      3   0.279745D+00 -0.752245D+00 -0.105427D+01  0.737565D+00  0.209641D+00
               251           252           253           254           255 
      1  -0.719271D+00  0.209641D+00 -0.720580D+00 -0.367035D+00 -0.498463D+00
      2  -0.105971D+01  0.902401D-01 -0.367035D+00 -0.165010D+00  0.892030D-01
      3   0.902401D-01 -0.949404D-01 -0.498463D+00  0.892030D-01 -0.105694D+01
               256           257           258           259           260 
      1   0.554839D+00  0.122801D+01 -0.851465D+00 -0.355285D+01 -0.124676D+01
      2   0.122801D+01  0.136026D+01 -0.142071D+01 -0.124676D+01 -0.140092D+01
      3  -0.851465D+00 -0.142071D+01  0.247381D+01  0.262087D+01  0.216266D+01
               261           262           263           264           265 
      1   0.262087D+01  0.154157D+02 -0.103046D+01 -0.690536D+00 -0.348363D+01
      2   0.216266D+01 -0.103046D+01  0.980857D+00  0.114424D+00  0.141208D+01
      3  -0.637978D+01 -0.690536D+00  0.114424D+00  0.115087D+01  0.238336D+00
               266           267           268           269           270 
      1   0.141208D+01  0.238336D+00 -0.252741D+00  0.965211D-01  0.144158D+01
      2  -0.732599D+00  0.533570D-01  0.965211D-01  0.141128D+00  0.163189D+00
      3   0.533570D-01 -0.174680D+00  0.144158D+01  0.163189D+00 -0.323637D+00
               271           272           273           274           275 
      1   0.200422D-01  0.107189D+00  0.815650D+00  0.215988D+01  0.243708D+01
      2   0.107189D+00  0.643761D-01  0.127231D-01  0.243708D+01  0.339435D+01
      3   0.815650D+00  0.127231D-01 -0.560962D+00  0.119376D+01  0.218507D+01
               276           277           278           279 
      1   0.119376D+01  0.374555D+01  0.177291D+01  0.173652D+01
      2   0.218507D+01  0.177291D+01  0.232282D+01  0.233508D+01
      3   0.254760D+01  0.173652D+01  0.233508D+01  0.323564D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.327854D+01  0.183201D+01 -0.130777D+01  0.347176D+01 -0.197760D+01
      2   0.732979D+01  0.338646D+01 -0.970121D+00  0.772321D+01 -0.517864D+01
      3   0.929849D+01  0.222880D+02 -0.488092D+01  0.247429D+02 -0.237600D+02
                 6             7             8             9            10 
      1   0.249642D+00 -0.575932D+01  0.859308D+01 -0.136800D+01 -0.551208D+00
      2   0.258562D+01 -0.200189D+02  0.390092D+01  0.132221D+00 -0.445913D+01
      3   0.265307D+01 -0.125470D+01  0.189979D+01  0.354139D+00  0.306954D+02
                11            12            13            14            15 
      1   0.309232D+01 -0.120339D+01 -0.110005D+01  0.937975D+00  0.118657D+01
      2   0.446126D+01 -0.652025D+01 -0.181006D+00 -0.394467D+01  0.458769D+00
      3   0.192405D+02 -0.449300D+01  0.502498D+02 -0.329883D+02  0.316848D+01
                16            17            18            19            20 
      1  -0.586314D+01  0.861386D+01 -0.138559D+01 -0.398123D+01 -0.449237D+00
      2  -0.194114D+02  0.368017D+01  0.794878D+00 -0.840184D+01 -0.273484D+01
      3  -0.730902D+01  0.363318D+01 -0.129399D+00 -0.542373D+01 -0.234586D+02
                21            22            23            24            25 
      1   0.580438D+00 -0.139739D+00  0.170998D-01 -0.149423D+01 -0.757450D+01
      2   0.100741D+01  0.153578D+01  0.180962D+01  0.104565D+01 -0.173019D+02
      3   0.496064D+01 -0.335842D+01  0.531339D+01 -0.185258D+01  0.570281D+01
                26            27            28            29            30 
      1   0.429396D+01 -0.110770D+01  0.699426D+00  0.141046D+01  0.500529D+00
      2   0.788245D+01 -0.102494D+01  0.538497D+01  0.147469D+01  0.883367D+00
      3  -0.217002D+01 -0.100928D+01 -0.207466D+02  0.104261D+02 -0.131812D+01
                31            32            33            34            35 
      1   0.468398D+01  0.374338D+01  0.116441D+01  0.393662D+01  0.124559D+02
      2   0.181178D+00  0.267729D+00  0.584659D+00 -0.121045D+02  0.762363D+00
      3   0.272297D+02 -0.178186D+01 -0.163845D+01 -0.218718D+01 -0.248529D+01
                36            37            38            39            40 
      1  -0.193882D+01  0.362870D+00 -0.887114D-01  0.647812D+01  0.145486D+01
      2   0.107645D+01 -0.263551D+01 -0.764166D+00  0.795117D+00 -0.252264D+01
      3  -0.244180D+01 -0.888194D+01 -0.224424D+01 -0.107077D+00  0.123589D+02
                41            42            43            44            45 
      1  -0.949645D+00 -0.289308D+01  0.160077D+02  0.140423D+01 -0.500600D+00
      2  -0.294498D+01 -0.182451D+01 -0.103027D+02 -0.656147D+01  0.233887D+01
      3  -0.641356D+01  0.262503D+00 -0.289774D+01  0.145598D+01 -0.500055D+01
                46            47            48            49            50 
      1  -0.995690D+00 -0.202129D+01 -0.610245D+01 -0.228325D+01  0.645116D+00
      2   0.247678D+01 -0.336578D+01  0.190164D+01 -0.447006D+01  0.509050D+01
      3   0.215075D+02 -0.229481D+02  0.372571D+01 -0.593455D+01  0.236434D+02
                51            52            53            54            55 
      1  -0.288008D+01 -0.108527D+02 -0.216363D+01  0.311069D+01  0.143648D+01
      2  -0.951961D+00 -0.150544D+02  0.175798D+01  0.135288D+01  0.582609D+01
      3  -0.289002D+01  0.340358D+01 -0.231020D+01  0.525758D+01  0.309158D+02
                56            57            58            59            60 
      1  -0.396127D+01 -0.628665D+01 -0.233023D+01  0.126243D+01 -0.232218D+01
      2  -0.364374D+01 -0.462357D+01 -0.537579D+01  0.377460D+01 -0.207365D+01
      3  -0.100947D+02  0.229161D+01 -0.494579D+01  0.242548D+02 -0.145660D+01
                61            62            63            64            65 
      1  -0.110816D+02 -0.144625D+01  0.222717D+01 -0.254564D+00 -0.548275D+00
      2  -0.203041D+02 -0.195742D+01  0.522705D+01  0.111123D+01  0.721892D+00
      3   0.448968D+01 -0.120305D+01  0.124721D+02  0.179084D+01 -0.356526D+00
                66            67            68            69            70 
      1  -0.160946D+01 -0.766128D+00 -0.148092D+01 -0.280656D+01 -0.845140D+00
      2   0.609312D+00  0.108965D+01 -0.258974D-01  0.186062D+01 -0.251824D+01
      3   0.996222D-02  0.339451D+01 -0.520196D+01  0.838470D+00 -0.257383D+00
                71            72            73            74            75 
      1   0.223817D+01  0.358296D+00 -0.239821D+00  0.171268D+00  0.207887D+01
      2  -0.691272D+00 -0.258664D-01 -0.710882D+00 -0.144412D+00  0.137643D+01
      3   0.877519D+00  0.512190D+00 -0.810452D+01  0.139882D+01 -0.635650D-02
                76            77            78            79            80 
      1  -0.109058D+01  0.819678D+00 -0.400500D+01 -0.285405D+01  0.172842D+01
      2  -0.436735D+00  0.700651D+00 -0.236571D+01 -0.185990D+01  0.372215D-01
      3   0.402765D+01  0.152175D+01  0.358771D+00  0.397698D+00 -0.439175D+00
                81            82            83            84            85 
      1   0.504919D+00  0.793398D+00  0.547204D+00 -0.199535D+01  0.707187D+00
      2   0.501932D+00  0.952293D+00  0.418602D+00  0.101113D+01  0.703013D+00
      3   0.104078D+01  0.700505D+01  0.290587D+01 -0.113507D+01  0.546403D+01
                86            87            88            89            90 
      1   0.134849D+01 -0.457995D+01  0.108618D+01  0.207456D+01  0.406579D+00
      2   0.669091D+00  0.141308D+01 -0.120091D+01  0.600380D+00 -0.626535D+00
      3   0.358980D+01 -0.118337D+01 -0.120277D+01 -0.136647D+01 -0.628542D+00
                91            92            93            94            95 
      1   0.274729D+01  0.904220D+00 -0.183735D+01  0.498456D+01 -0.608716D+00
      2  -0.636399D+01 -0.192362D+01 -0.699003D+01 -0.236426D+01 -0.859222D+01
      3   0.105188D+02 -0.208833D+00  0.241284D+01  0.196846D+02 -0.176773D+02
                96            97            98            99           100 
      1  -0.233332D+01 -0.270896D+01  0.495506D+01  0.140223D+01  0.127066D+01
      2  -0.291335D+01 -0.331488D+02 -0.345100D+00  0.452763D+01 -0.119587D+02
      3   0.788269D+01  0.257923D+00  0.104319D+02  0.808324D+01  0.601523D+00
               101           102           103           104           105 
      1  -0.612116D+01  0.583086D+00 -0.280567D+01  0.433141D+01 -0.110706D+02
      2   0.207865D+01  0.175266D+02 -0.453895D+00  0.183944D+02  0.630322D+01
      3  -0.136226D+02 -0.103860D+01 -0.869188D+01  0.843033D+01 -0.151412D+02
               106           107           108           109           110 
      1   0.309377D+01 -0.572143D+01 -0.534626D+01 -0.374109D+01  0.129571D+01
      2   0.169087D+02  0.285936D+01 -0.523135D+01  0.123551D+02  0.490328D+01
      3   0.529142D+01 -0.141950D+02 -0.744539D+01 -0.596692D+01  0.886765D+01
               111           112           113           114           115 
      1   0.953415D+01 -0.933521D+01 -0.688868D+01 -0.832033D+01  0.878021D+01
      2   0.400491D+01  0.667840D+01  0.399192D+01 -0.832093D+01  0.697079D+01
      3  -0.716992D+01  0.908535D+01  0.162922D+02 -0.230487D+01 -0.137146D+02
               116           117           118           119           120 
      1  -0.656243D-01  0.601880D+01  0.117760D+01 -0.953621D+00  0.105997D+01
      2  -0.220848D+01  0.231382D+01  0.275185D+01 -0.949746D+00  0.494087D+01
      3  -0.651755D+01 -0.420481D+01  0.885825D+01 -0.622822D+01 -0.216673D+00
               121           122           123           124           125 
      1  -0.122444D+01  0.230152D+01 -0.308963D+01  0.895828D+00 -0.303145D+00
      2  -0.156274D+01  0.459746D+01 -0.510311D+01  0.287380D+01 -0.334939D+01
      3  -0.765987D+00  0.203276D+02 -0.371884D+01 -0.110268D+01 -0.498737D+01
               126           127           128           129           130 
      1   0.601067D+00 -0.244273D+01  0.278655D+01 -0.479564D+00  0.113230D+01
      2   0.170933D+01 -0.285495D+01  0.291220D+01 -0.442717D+01  0.289960D+01
      3   0.228483D+01 -0.462645D+01  0.394017D+01 -0.128936D+01  0.356865D+01
               131           132           133           134           135 
      1  -0.108381D+02  0.334398D+01 -0.284646D-03  0.502828D+01 -0.255697D+01
      2  -0.994744D+01  0.917898D+01 -0.220880D+01  0.429408D+01 -0.690920D+01
      3  -0.168729D+02  0.903838D+01  0.351591D+00  0.588130D+01 -0.474603D+01
               136           137           138           139           140 
      1  -0.139426D+01 -0.267283D+01  0.792394D+00 -0.211060D+01 -0.796442D+00
      2   0.110705D+02  0.162183D-01  0.773786D+01  0.189396D+00 -0.701816D+00
      3  -0.449743D+01 -0.629762D+01  0.607879D+00 -0.327502D+01 -0.849008D+00
               141           142           143           144           145 
      1   0.241335D+00 -0.577626D-01  0.132855D+01 -0.758819D-01  0.171292D+01
      2   0.102064D+00  0.124304D+01  0.542325D+00  0.119961D+01 -0.485507D+01
      3   0.217942D+01 -0.581146D+00  0.253711D+01 -0.708695D+00  0.351967D+01
               146           147           148           149           150 
      1   0.312640D+01  0.213881D+00  0.177659D+01  0.586560D+01  0.220445D+01
      2  -0.464936D+01 -0.825734D+01 -0.303453D+01 -0.116155D+02 -0.133175D+02
      3   0.447530D+01  0.316050D+01  0.376132D+01  0.108473D+02  0.984536D+01
               151           152           153           154           155 
      1  -0.108545D+00  0.515749D+01  0.234877D+01  0.373050D+01  0.744890D+00
      2  -0.444777D+01 -0.930549D+01 -0.166361D+02 -0.111128D+02 -0.149760D+01
      3   0.295157D+00  0.773174D+01  0.863246D+01 -0.857339D+01 -0.207489D+02
               156           157           158           159           160 
      1  -0.585329D+01  0.671489D+01  0.440100D+01 -0.319705D+01 -0.330345D+01
      2   0.192173D+02 -0.134496D+01 -0.448224D+01  0.105611D+02  0.614161D+01
      3  -0.144723D+00 -0.175002D+02 -0.227435D+02  0.632268D+00  0.321970D+01
               161           162           163           164           165 
      1   0.145084D+01  0.131668D+01  0.545514D+01  0.241901D+01 -0.266625D+01
      2   0.358662D+01 -0.858128D+01 -0.112511D+02 -0.485827D+01  0.211084D+01
      3   0.413524D+01 -0.268445D+01 -0.748923D+01 -0.372737D+01  0.110285D+01
               166           167           168           169           170 
      1   0.740141D+01  0.433488D+01  0.232379D+01 -0.829341D+00  0.717564D+01
      2  -0.876254D+01  0.486685D+01  0.766383D+01 -0.323321D+01  0.338241D+01
      3  -0.315971D+00 -0.443634D+01 -0.873163D+01  0.417611D+01 -0.225473D+01
               171           172           173           174           175 
      1  -0.277759D+01 -0.731931D+01 -0.320631D+01  0.305614D+00 -0.859140D+01
      2   0.232905D+02  0.206727D+02  0.364632D+01 -0.688532D+01  0.804166D+01
      3  -0.367781D+01  0.281597D+01  0.247680D+01  0.208364D+01  0.828828D+01
               176           177           178           179           180 
      1  -0.270915D+01 -0.182205D+01 -0.237346D+00 -0.110984D+00 -0.870582D+00
      2   0.351787D+01 -0.396769D+01 -0.338255D+01 -0.111690D+01  0.486846D+01
      3   0.104842D+01  0.569575D+00  0.222391D+01  0.809615D+00  0.106540D+01
               181           182           183           184           185 
      1  -0.377574D+00  0.239890D+01  0.652393D+01  0.271550D+01 -0.103687D+01
      2  -0.673463D+01 -0.241926D+01  0.751877D+01 -0.907326D+00 -0.792751D+01
      3  -0.284855D+02 -0.161759D+02  0.303764D+01 -0.927396D+01 -0.257896D+02
               186           187           188           189           190 
      1  -0.278717D+01  0.151196D+02  0.309066D+01 -0.233875D+01 -0.111472D+01
      2  -0.253058D+01 -0.195406D+01 -0.106205D+02  0.146621D+01 -0.402050D+01
      3   0.600414D+01  0.278966D+01  0.766863D+01 -0.212927D+01  0.876565D+01
               191           192           193           194           195 
      1   0.327476D+01 -0.416532D+00  0.295389D+01  0.218894D+01  0.385841D+01
      2   0.472749D+01  0.200357D+01  0.116828D+02  0.226371D+01 -0.356758D+01
      3   0.202281D+02 -0.442481D+01  0.438114D+02  0.209397D+02 -0.564972D+01
               196           197           198           199           200 
      1  -0.285471D+01  0.139781D+02 -0.326889D+01 -0.186492D+00 -0.212294D+01
      2  -0.542399D-01 -0.555550D+01  0.944714D+00  0.884297D+00 -0.182886D+01
      3  -0.819188D+01 -0.459275D+01  0.565088D+01 -0.256288D+02 -0.111732D+02
               201           202           203           204           205 
      1   0.342886D+00 -0.187852D+01  0.121730D+01 -0.384360D+01 -0.421611D+01
      2   0.402501D+01 -0.711348D+01  0.417304D+01  0.580290D+01 -0.161701D+02
      3   0.256381D+01 -0.761847D+00 -0.184633D+01 -0.191001D+01  0.465287D+01
               206           207           208           209           210 
      1   0.399486D+01  0.338863D+00  0.119819D+01 -0.293161D+01  0.741812D+00
      2   0.146910D+02 -0.454775D+01  0.367764D+01 -0.507358D+01  0.112412D+02
      3  -0.328533D+01 -0.703182D+01  0.106922D+02 -0.379924D+02  0.433342D+01
               211           212           213           214           215 
      1   0.461134D+00 -0.887590D+00 -0.588162D+01  0.265878D+01 -0.108565D+01
      2  -0.202741D+00  0.258435D+01  0.663925D+01 -0.600778D+01 -0.319326D+01
      3   0.108378D+01  0.117420D+02 -0.294479D+01  0.719380D-01  0.143186D+01
               216           217           218           219           220 
      1   0.111711D+01 -0.142688D+01  0.402087D+00 -0.114844D+01  0.241794D+01
      2  -0.825485D+00 -0.626810D+01 -0.153533D+01  0.753994D+01 -0.376758D+01
      3   0.134551D+01 -0.346767D+02 -0.326002D+01  0.390058D+01  0.564396D+01
               221           222           223           224           225 
      1   0.361078D+01  0.587169D+01  0.100979D+02  0.658901D+01 -0.158547D+01
      2  -0.745145D+01 -0.333713D+02 -0.656559D+01 -0.211038D+02  0.158672D+02
      3   0.178050D+02  0.786567D+01  0.426214D+01  0.616953D+01  0.266784D+02
               226           227           228           229           230 
      1   0.247377D+00 -0.284807D+00 -0.192188D+01  0.301944D-01 -0.768776D+00
      2   0.197254D+01  0.179985D+01  0.364364D-01  0.142154D+01  0.362556D+01
      3   0.922067D+01  0.754182D+01 -0.203183D+01  0.710936D+01  0.176275D+02
               231           232           233           234           235 
      1  -0.415290D+01  0.129826D+01  0.210015D+01  0.349569D+00 -0.741787D+00
      2  -0.552661D+00 -0.481353D+00 -0.999460D+00 -0.773490D-01 -0.865456D+00
      3  -0.362143D+01 -0.204396D+01 -0.383889D+01  0.131598D+00 -0.258503D+00
               236           237           238           239           240 
      1   0.812649D+00  0.213122D+01 -0.207073D+00 -0.830479D+00 -0.374812D+01
      2  -0.961243D-02  0.251692D+01 -0.106776D+01  0.118683D+01 -0.374862D+01
      3  -0.569842D+01  0.551651D+00 -0.554483D+01  0.159070D+02 -0.134666D+01
               241           242           243           244           245 
      1  -0.294522D+01  0.154612D+01  0.542029D+00  0.273864D+00 -0.238797D-01
      2  -0.271794D+01 -0.878535D+00  0.115028D+01 -0.606788D+00 -0.811681D+00
      3   0.182333D+01 -0.214556D+01  0.157151D+01 -0.697695D+00 -0.248909D+01
               246           247           248           249           250 
      1  -0.104557D+01  0.202083D+00 -0.280071D+00 -0.273942D+01 -0.494626D+00
      2   0.101949D+01 -0.900879D+00 -0.281665D+01  0.275738D+01 -0.139071D+01
      3   0.468726D+00 -0.610847D+00 -0.133840D+02  0.241686D+01  0.567416D+00
               251           252           253           254           255 
      1   0.152248D+01  0.366534D+00 -0.174175D+00  0.651233D+00  0.146002D+01
      2  -0.832190D+00 -0.168945D-01 -0.532122D+01  0.835885D+00 -0.560159D+01
      3   0.286241D+01  0.404422D+00  0.902874D+00  0.284504D+01 -0.242902D+01
               256           257           258           259           260 
      1  -0.190503D+00 -0.325325D+00 -0.229631D+01 -0.212094D+01  0.151974D+01
      2  -0.353214D+01 -0.773266D+01  0.141687D+02  0.812260D+01  0.125316D+02
      3  -0.410179D+01 -0.119574D+02  0.953886D+01  0.425011D+01  0.108409D+02
               261           262           263           264           265 
      1   0.517827D+01  0.666027D+00 -0.593475D+00 -0.417010D+00 -0.540762D+00
      2  -0.350549D+02  0.106981D+01  0.857681D-01  0.907969D+01  0.345510D+00
      3  -0.167985D+02  0.144694D+02 -0.102211D+02 -0.878694D+00 -0.810066D+01
               266           267           268           269           270 
      1   0.122509D+00 -0.739515D+00 -0.110842D+01  0.125028D+00  0.154001D+00
      2   0.782979D+00 -0.119020D+01  0.669583D+01  0.991314D+00 -0.164531D+01
      3   0.526569D+01 -0.448371D+00 -0.870893D+00 -0.744142D+00 -0.112237D+01
               271           272           273           274           275 
      1  -0.108768D+00  0.109741D+00  0.964034D+00 -0.153390D+01 -0.266331D+01
      2   0.590496D+01  0.634868D+00 -0.245069D+01  0.550936D+01  0.110646D+02
      3  -0.173764D+01  0.157165D+01  0.458415D+00 -0.939847D+01 -0.246352D+02
               276           277           278           279 
      1  -0.481935D+01 -0.294171D+01 -0.132736D+01 -0.532618D+01
      2   0.146735D+02  0.595930D+01  0.129999D+02  0.174243D+02
      3  -0.133993D+02 -0.661313D+01 -0.158312D+02 -0.157263D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.745589D+02  0.418869D+02 -0.437507D+01 -0.732419D+02  0.448394D+01
      2   0.373171D+02 -0.280481D+02  0.366932D+01  0.378787D+02  0.566391D+01
      3   0.372418D+02 -0.138387D+02  0.705757D+00  0.353632D+02 -0.101478D+02
      4   0.237643D+02  0.993304D+01 -0.305234D+01  0.107394D+02 -0.207027D+02
      5  -0.774566D+01 -0.357232D+01 -0.132061D+00 -0.553118D+01  0.697683D+01
      6   0.301823D+01  0.154871D+01  0.241905D+01  0.424225D+01 -0.530033D+01
                 6             7             8             9            10 
      1   0.230124D+01  0.179397D+02 -0.514265D+01 -0.989247D+01  0.109614D+03
      2  -0.404234D+01 -0.792762D+01  0.207652D+01 -0.105648D+01 -0.510796D+02
      3   0.174109D+01 -0.100120D+02  0.306614D+01  0.109489D+02 -0.585347D+02
      4   0.381563D+01 -0.333209D+01  0.315487D+01 -0.595322D+00  0.101257D+02
      5   0.335478D+01  0.164532D+01 -0.123586D+01  0.188133D+00 -0.290979D-01
      6   0.173956D-03  0.175656D+01  0.413674D+01  0.103545D+01 -0.771754D+01
                11            12            13            14            15 
      1  -0.166652D+01 -0.818936D+01  0.592050D+02 -0.338358D+02  0.166637D+01
      2  -0.251859D+01  0.392008D+01 -0.220177D+02  0.240499D+02 -0.440383D+01
      3   0.418510D+01  0.426928D+01 -0.371873D+02  0.978592D+01  0.273746D+01
      4   0.130736D+02 -0.503170D+01 -0.305555D+02  0.161318D+02 -0.552024D+00
      5  -0.741597D+01 -0.108591D+02  0.966707D+01 -0.227300D+01 -0.440399D+00
      6   0.403065D+01  0.133448D+01 -0.379590D+01 -0.823699D+00 -0.219556D+01
                16            17            18            19            20 
      1  -0.180349D+02  0.566387D+01 -0.488022D+01  0.394535D+02 -0.473245D+02
      2   0.818608D+01 -0.367648D+01 -0.259049D+01 -0.191137D+02  0.344712D+02
      3   0.984886D+01 -0.198739D+01  0.747071D+01 -0.203398D+02  0.128533D+02
      4   0.620965D+01 -0.220753D+01  0.497837D+01 -0.264223D+02 -0.116368D+02
      5   0.126277D+01  0.419323D+01  0.486096D+00  0.103751D+02  0.410847D+01
      6   0.524230D+01  0.421625D+01  0.153988D+01 -0.267625D+01 -0.474950D+00
                21            22            23            24            25 
      1   0.612412D+01  0.872188D+01  0.318650D+02 -0.506910D+01 -0.405995D+01
      2  -0.468118D+01 -0.212911D+02 -0.315727D+02  0.662136D+01  0.665750D+01
      3  -0.144294D+01  0.125693D+02 -0.292338D+00 -0.155226D+01 -0.259755D+01
      4   0.325751D+01  0.162090D+02 -0.246380D+01  0.271390D+01 -0.103399D+01
      5  -0.247459D+01 -0.713343D+01  0.323774D+01  0.685508D+01  0.499085D+01
      6   0.693247D+00  0.919321D+01  0.534343D+01  0.215916D+01  0.275602D+01
                26            27            28            29            30 
      1  -0.138533D+01 -0.689413D+01  0.911750D+01 -0.666809D+00  0.301051D+01
      2   0.538962D+01 -0.677886D+01 -0.230336D+02 -0.232386D+01 -0.147782D+01
      3  -0.400429D+01  0.136730D+02  0.139161D+02  0.299067D+01 -0.153269D+01
      4   0.515134D+01  0.424111D+01 -0.948160D+00  0.135905D+02  0.323810D+00
      5   0.908044D+01 -0.234521D+01 -0.114507D+02  0.219229D+01  0.924347D+01
      6   0.456281D+01 -0.417489D+00  0.102900D+02 -0.150989D+01 -0.299609D+01
                31            32            33            34            35 
      1   0.149288D+02 -0.641318D+02  0.847271D+01 -0.178131D+01  0.104792D+02
      2  -0.483146D+01  0.602558D+02 -0.126145D+02 -0.221339D+01 -0.114477D+02
      3  -0.100973D+02  0.387600D+01  0.414183D+01  0.399470D+01  0.968444D+00
      4  -0.394060D+02 -0.109009D+02  0.474074D+01  0.147568D+02  0.305838D+01
      5   0.129373D+02  0.515410D+01 -0.746142D+00  0.320287D+02 -0.578716D+01
      6  -0.982206D+00 -0.570694D+01 -0.239500D+01 -0.631506D+01  0.616981D+01
                36            37            38            39            40 
      1  -0.149833D+00 -0.616178D+01  0.717945D+02 -0.135724D+02 -0.196341D+02
      2  -0.818475D+01 -0.432373D+00 -0.563055D+02  0.737625D+01  0.211761D+02
      3   0.833459D+01  0.659415D+01 -0.154891D+02  0.619611D+01 -0.154208D+01
      4  -0.243394D+00  0.206686D+02 -0.112076D+02 -0.770922D+00  0.193461D+02
      5   0.597702D+00 -0.365762D+01 -0.419107D+01  0.270938D+01  0.268250D+01
      6   0.526432D+01 -0.392894D+01  0.369225D+01 -0.127487D+02 -0.104685D+02
                41            42            43            44            45 
      1   0.254769D+02 -0.804709D+01  0.573600D+01 -0.138905D+02 -0.134799D+02
      2  -0.291115D+02  0.761992D+01 -0.942193D+01  0.154294D+02  0.332283D+01
      3   0.363459D+01  0.427173D+00  0.368593D+01 -0.153892D+01  0.101570D+02
      4   0.153577D+02 -0.719511D+01 -0.868970D+00 -0.523300D+01 -0.731919D+01
      5  -0.838718D+01 -0.685997D+01  0.183770D+02 -0.777133D+01  0.373737D+01
      6   0.885189D+01  0.600689D+01 -0.188685D+02  0.170516D+02  0.414477D+00
                46            47            48            49            50 
      1   0.595121D+01 -0.584043D+02  0.838782D+01  0.208861D+02  0.694684D+01
      2  -0.380127D+01  0.464240D+02 -0.331347D+01 -0.198289D+02 -0.118200D+02
      3  -0.214994D+01  0.119802D+02 -0.507434D+01 -0.105714D+01  0.487319D+01
      4  -0.173943D+02 -0.895988D+01  0.430952D+01  0.129659D+02 -0.949296D+01
      5   0.518448D+01  0.650752D+01 -0.104267D+00 -0.240885D+01  0.177795D+01
      6   0.408795D+01  0.543842D+00  0.112572D+02  0.312769D+01  0.106782D+02
                51            52            53            54            55 
      1  -0.708118D+01 -0.475375D+01 -0.225497D+01 -0.220305D+02 -0.277869D+02
      2   0.819054D+01  0.622499D+01  0.904329D+01  0.915139D+01  0.117509D+02
      3  -0.110936D+01 -0.147124D+01 -0.678832D+01  0.128791D+02  0.160360D+02
      4   0.305175D+01  0.117813D+01  0.604242D+01  0.621373D+01  0.335438D+01
      5   0.959167D+00  0.525903D+01  0.242818D+01  0.215683D+00 -0.245095D+01
      6   0.548837D+01  0.507458D+01  0.217099D+02 -0.549337D+01  0.348305D+01
                56            57            58            59            60 
      1  -0.431758D+02  0.730177D+01  0.122143D+02  0.159922D+02 -0.881009D+01
      2   0.367477D+02 -0.147300D+01 -0.115237D+02 -0.172170D+02  0.873453D+01
      3   0.642813D+01 -0.582877D+01 -0.690583D+00  0.122483D+01  0.755633D-01
      4  -0.494734D+02  0.774393D+01  0.132433D+02 -0.515073D+01 -0.748983D+00
      5   0.113227D+02 -0.115262D+02 -0.276793D+01 -0.224582D+01 -0.119176D+01
      6  -0.247056D+01  0.127582D+02  0.300099D+01  0.977823D+01  0.408165D+01
                61            62            63            64            65 
      1  -0.193705D+01 -0.520488D+01 -0.272874D+02  0.334278D+01 -0.125246D+01
      2   0.505894D+01  0.112462D+02  0.919143D+01 -0.420687D+00  0.258086D+01
      3  -0.312188D+01 -0.604128D+01  0.180960D+02 -0.292209D+01 -0.132840D+01
      4  -0.276483D+01  0.311716D+01 -0.550537D+01  0.930866D+01  0.101762D+02
      5  -0.213857D+01 -0.101079D+02  0.661733D+01 -0.268220D+01 -0.212398D+01
      6   0.635435D+01  0.186747D+02 -0.658076D+01 -0.173017D+01 -0.159950D+01
                66            67            68            69            70 
      1   0.272415D+00 -0.374807D+01 -0.138525D+02  0.315707D+01  0.162934D+00
      2   0.151884D+00  0.596522D+01  0.167518D+02 -0.146955D+01  0.283240D-01
      3  -0.424299D+00 -0.221715D+01 -0.289928D+01 -0.168752D+01 -0.191258D+00
      4  -0.163380D+01  0.135449D+02  0.180764D+02 -0.322644D+01 -0.274412D+01
      5   0.294604D+01 -0.338597D+01 -0.342637D+01  0.363399D+01  0.168424D+01
      6   0.145800D+01 -0.301976D+01 -0.591371D+01  0.506605D+01  0.216898D+01
                71            72            73            74            75 
      1   0.199798D+01 -0.270450D+01 -0.809439D+00  0.680108D+01 -0.817318D+00
      2  -0.193606D+01  0.216694D+01  0.100583D+02 -0.158534D+02  0.143186D+01
      3  -0.619238D-01  0.537560D+00 -0.924883D+01  0.905229D+01 -0.614541D+00
      4  -0.346076D+01  0.223263D+01 -0.216550D+02  0.218110D+02 -0.227372D+01
      5   0.775947D+00 -0.133081D+01  0.184874D+01 -0.231614D+01  0.302723D+01
      6   0.291616D+01 -0.201561D+01 -0.111899D+01  0.156623D+01 -0.275127D+01
                76            77            78            79            80 
      1   0.115201D+02 -0.280709D+02  0.340649D+01 -0.225304D+01  0.428476D+01
      2  -0.223183D+02  0.457627D+02 -0.425221D+01  0.410918D+01 -0.628706D+01
      3   0.107981D+02 -0.176919D+02  0.845725D+00 -0.185613D+01  0.200230D+01
      4   0.237695D+02 -0.325272D+02  0.366463D+01 -0.308341D+01  0.399653D+01
      5  -0.319909D+01  0.404431D+01 -0.361202D+01  0.235450D-01 -0.163148D+01
      6   0.361819D+01 -0.517353D+01  0.655285D+01  0.159669D+01  0.238693D+01
                81            82            83            84            85 
      1  -0.105364D+01 -0.550012D+01 -0.103785D+02  0.247474D+01 -0.953022D+01
      2   0.217942D+01  0.970245D+01  0.168870D+02 -0.274741D+01  0.137742D+02
      3  -0.112578D+01 -0.420233D+01 -0.650845D+01  0.272676D+00 -0.424397D+01
      4  -0.212849D+01  0.114898D+02  0.187316D+02 -0.334181D+01  0.125627D+02
      5   0.937638D+00 -0.133028D+01 -0.190501D+01  0.285993D+01 -0.138067D+01
      6  -0.173588D+01 -0.253798D+01 -0.400384D+01  0.335005D+01 -0.294870D+01
                86            87            88            89            90 
      1  -0.391921D+02  0.764858D+01  0.210124D+01  0.801241D+01 -0.184819D+01
      2   0.557310D+02 -0.850645D+01 -0.311162D+01 -0.104242D+02  0.230841D+01
      3  -0.165389D+02  0.857872D+00  0.101038D+01  0.241183D+01 -0.460218D+00
      4   0.263030D+02 -0.441792D+01 -0.314477D+01 -0.498753D+01  0.287022D+01
      5  -0.194957D+01  0.211371D+01  0.998724D+00  0.251902D+01 -0.133164D+01
      6  -0.106824D+02  0.856886D+01  0.609908D+00  0.399809D+01 -0.249964D+01
                91            92            93            94            95 
      1  -0.201641D+01  0.231632D+01 -0.138844D+02 -0.409156D+01 -0.259832D+01
      2   0.839862D+01  0.211786D+01  0.669458D+00  0.103424D+02 -0.989120D+01
      3  -0.638220D+01 -0.443418D+01  0.132149D+02 -0.625083D+01  0.124895D+02
      4  -0.355213D+01 -0.142545D+02 -0.353235D+01 -0.153994D+02  0.348975D+02
      5  -0.631965D+00 -0.455483D+01 -0.218254D+02  0.198172D+01 -0.137554D+02
      6  -0.372930D+01  0.169053D+01  0.109980D+01 -0.356641D+01  0.324868D+01
                96            97            98            99           100 
      1  -0.216582D+01  0.205051D+00 -0.417114D+01 -0.206301D+02 -0.729576D+02
      2   0.135400D+01 -0.134316D+02  0.854527D+01  0.206552D+02  0.404423D+02
      3   0.811821D+00  0.132265D+02 -0.437413D+01 -0.250509D-01  0.325152D+02
      4  -0.155962D+02 -0.634330D+01 -0.156663D+02 -0.432052D+01  0.116693D+02
      5  -0.608819D+01 -0.601750D+02  0.800455D+00  0.178732D+02  0.376354D+02
      6   0.394919D+01  0.257175D+01 -0.803376D+00 -0.138548D+01 -0.376965D+01
               101           102           103           104           105 
      1   0.771285D+01  0.283645D+02  0.406425D+01  0.300725D+02  0.860234D+01
      2  -0.347067D+01 -0.683108D+01 -0.551565D+01 -0.512152D+01  0.571577D+00
      3  -0.424217D+01 -0.215334D+02  0.145140D+01 -0.249510D+02 -0.917392D+01
      4   0.178572D+02  0.120755D+01  0.167813D+02 -0.149334D+02  0.232460D+02
      5   0.730287D+00  0.123386D+02 -0.219004D+00  0.153777D+02  0.780999D+01
      6  -0.114012D+02 -0.334090D+01 -0.659109D+01  0.403197D+01 -0.191894D+02
               106           107           108           109           110 
      1   0.358108D+01  0.821879D+01  0.203109D+02 -0.754397D+02 -0.240925D+02
      2   0.163848D+02 -0.321903D+01 -0.228285D+02  0.286270D+02  0.346494D+01
      3  -0.199659D+02 -0.499976D+01  0.251757D+01  0.468127D+02  0.206275D+02
      4   0.182678D+01  0.196783D+02  0.449822D+01 -0.408170D+02 -0.237559D+02
      5   0.394406D+02  0.181462D+01 -0.309039D+02  0.330164D+01 -0.103084D+01
      6  -0.357721D+01 -0.139530D+02 -0.701507D+01 -0.727003D+00  0.215724D+01
               111           112           113           114           115 
      1   0.289938D+01 -0.323060D+02 -0.146235D+02  0.893657D+01  0.328853D+02
      2  -0.251730D+01  0.702795D+01  0.514454D+01 -0.715591D+00 -0.148289D+02
      3  -0.382080D+00  0.252780D+02  0.947899D+01 -0.822098D+01 -0.180565D+02
      4   0.187517D+01 -0.108739D+02 -0.220794D+02  0.884599D+01  0.135569D+02
      5   0.288422D+00 -0.206367D+01  0.654276D+01 -0.347386D+01  0.225751D+02
      6  -0.384890D+01  0.310053D+01 -0.373060D+01  0.651265D+00  0.342312D+01
               116           117           118           119           120 
      1   0.624418D+01  0.226132D+02  0.704223D+01 -0.911518D+01  0.497587D+01
      2  -0.237949D+01 -0.297552D+01  0.285452D+01  0.124211D+00 -0.142583D+01
      3  -0.386469D+01 -0.196377D+02 -0.989675D+01  0.899097D+01 -0.355004D+01
      4   0.148349D+02  0.486684D+01 -0.199599D+02  0.203619D+02 -0.954298D+00
      5   0.309330D+01  0.194234D+01  0.569235D+01 -0.502628D+00  0.992961D+01
      6  -0.962980D+00 -0.131270D+01 -0.151539D+01  0.549825D+00 -0.939642D+00
               121           122           123           124           125 
      1  -0.167669D+02 -0.182043D+01 -0.365486D+00  0.650073D+01  0.176819D+01
      2   0.294946D+01  0.192435D+02 -0.299846D+01 -0.228463D+01 -0.466125D+01
      3   0.138174D+02 -0.174230D+02  0.336394D+01 -0.421609D+01  0.289305D+01
      4   0.229616D+02 -0.480180D+02  0.784830D+01 -0.286315D+01  0.110355D+02
      5  -0.191721D+01  0.711688D+01 -0.103375D+02  0.118538D+02 -0.768083D+01
      6   0.709573D+00 -0.265980D+01  0.449675D+01 -0.237805D+01  0.624783D+01
               126           127           128           129           130 
      1   0.246657D+01  0.653807D+00  0.626777D+01 -0.853327D+01  0.105180D+02
      2  -0.819168D+00 -0.275597D+00 -0.277244D+01  0.185521D+00 -0.690418D+01
      3  -0.164741D+01 -0.378209D+00 -0.349532D+01  0.834775D+01 -0.361387D+01
      4  -0.834139D+01  0.329760D+01 -0.488587D+01  0.161827D+01  0.111842D+01
      5   0.322839D+01 -0.136394D+01 -0.724098D+00 -0.448510D+01 -0.957386D+01
      6  -0.256689D+01 -0.297907D+01  0.471626D+01 -0.184064D+01  0.450742D+00
               131           132           133           134           135 
      1  -0.158249D+02  0.879030D+01 -0.381023D+01  0.511344D+01 -0.110942D+02
      2   0.573062D+01  0.373030D+01  0.105214D+01  0.170007D+01 -0.133594D+01
      3   0.100943D+02 -0.125206D+02  0.275809D+01 -0.681350D+01  0.124302D+02
      4   0.287060D+02 -0.155078D+02 -0.901803D+00 -0.107366D+02  0.800666D+01
      5  -0.116676D+02  0.167633D+02  0.199076D+01  0.642206D+01 -0.879491D+01
      6  -0.194341D+02  0.132624D+02  0.419142D+00  0.105931D+02 -0.682720D+01
               136           137           138           139           140 
      1   0.110147D+03 -0.599082D+01 -0.195593D+02 -0.404641D+01  0.598512D+01
      2  -0.657585D+02  0.268251D+01  0.184226D+02  0.111346D+01 -0.379550D+01
      3  -0.443887D+02  0.330831D+01  0.113677D+01  0.293295D+01 -0.218962D+01
      4  -0.133906D+02  0.123148D+02  0.376718D+01  0.139096D+02 -0.978344D+00
      5  -0.626939D+02  0.420278D+01  0.300843D+02  0.231346D+01 -0.640034D+01
      6   0.529986D+01 -0.434405D+01 -0.220594D+01 -0.417946D+01  0.212632D+00
               141           142           143           144           145 
      1  -0.471317D-01 -0.803386D+01 -0.112318D+01  0.812880D+01 -0.163980D+01
      2  -0.624332D-01  0.841937D+01  0.473501D-01 -0.679122D+01 -0.436057D+00
      3   0.109565D+00 -0.385513D+00  0.107583D+01 -0.133758D+01  0.207586D+01
      4  -0.519208D+01  0.164298D+00 -0.319020D+01 -0.719247D+00 -0.342983D+01
      5  -0.621984D+00  0.169761D+02 -0.773210D-01 -0.645567D+01 -0.242249D+01
      6   0.406534D+01 -0.722762D+00  0.267130D+01  0.110545D+01  0.427125D+01
               146           147           148           149           150 
      1  -0.101448D+02 -0.154430D+02 -0.905494D+01 -0.192161D+02 -0.172327D+02
      2   0.378562D+01  0.131037D+01  0.575832D+01  0.796473D+01 -0.256435D+00
      3   0.635918D+01  0.141326D+02  0.329662D+01  0.112514D+02  0.174891D+02
      4  -0.525741D+01 -0.330683D+01  0.226655D+01 -0.190188D+02 -0.181525D+02
      5  -0.946692D+00 -0.657466D+01  0.745263D+01 -0.143141D+02 -0.208509D+02
      6   0.700470D+01  0.632008D+01  0.372777D+00  0.182291D+02  0.192786D+02
               151           152           153           154           155 
      1  -0.647430D+01 -0.126840D+02 -0.244813D+02  0.166129D+03  0.356785D+02
      2   0.258983D+01  0.284412D-01 -0.351736D+01 -0.737974D+02 -0.100835D+02
      3   0.388447D+01  0.126556D+02  0.279987D+02 -0.923320D+02 -0.255950D+02
      4   0.183003D+01 -0.139544D+02 -0.145341D+02  0.606837D+02  0.427672D+02
      5   0.425432D+01 -0.125857D+02 -0.229017D+02  0.112288D+02  0.446321D+01
      6   0.438381D+00  0.151768D+02  0.176249D+02  0.206352D+00  0.964611D+00
               156           157           158           159           160 
      1  -0.527945D+01  0.478247D+02  0.334607D+02 -0.403608D+01 -0.852710D+01
      2  -0.132366D+01 -0.107102D+02 -0.224989D+01 -0.643174D+00  0.421869D+00
      3   0.660311D+01 -0.371146D+02 -0.312108D+02  0.467926D+01  0.810523D+01
      4   0.870097D+00  0.603649D+02  0.507328D+02 -0.494817D+01 -0.529518D+01
      5   0.302968D+02  0.150430D+01 -0.223660D+00  0.139026D+02  0.297344D+02
      6   0.540880D+01  0.355295D+01  0.332198D+01  0.632381D+01  0.664010D+01
               161           162           163           164           165 
      1  -0.315298D+01  0.179101D+02  0.427648D+02  0.134398D+02  0.115273D+02
      2  -0.104707D+01 -0.101861D+02 -0.276648D+02 -0.493230D+01 -0.872489D+01
      3   0.420005D+01 -0.772399D+01 -0.151001D+02 -0.850749D+01 -0.280237D+01
      4  -0.922519D+01  0.113320D+02  0.229245D+02  0.110385D+02  0.191840D+01
      5   0.103647D+02 -0.812844D+01  0.267259D+02  0.342249D+01  0.172987D+02
      6   0.529002D+01 -0.417042D+00  0.974470D+01  0.173245D+01  0.747803D+00
               166           167           168           169           170 
      1   0.186390D+02 -0.524755D+01 -0.828282D+01 -0.670593D+01 -0.683816D+01
      2  -0.955445D+01  0.258576D+01  0.143827D+01 -0.185678D+01  0.193676D+01
      3  -0.908452D+01  0.266180D+01  0.684456D+01  0.856271D+01  0.490140D+01
      4   0.117357D+02  0.727686D+01  0.112569D+02 -0.307750D+01  0.268096D+01
      5   0.111734D+02  0.120647D+02  0.107616D+02  0.155083D+02  0.413137D+01
      6   0.275819D+01  0.677810D+01  0.118897D+02  0.192957D+00  0.990349D+01
               171           172           173           174           175 
      1  -0.283333D+02 -0.441179D+02 -0.846453D+01  0.842261D+01 -0.199590D+02
      2  -0.154196D+02  0.246218D+02  0.379196D+01  0.395865D+01  0.131759D+02
      3   0.437529D+02  0.194961D+02  0.467257D+01 -0.123813D+02  0.678315D+01
      4   0.259986D+01 -0.197324D+02 -0.799948D+01 -0.194175D+01 -0.102858D+02
      5   0.455345D+02 -0.207497D+02 -0.471167D+01 -0.141822D+02 -0.119485D+02
      6   0.824225D+01 -0.781929D+01 -0.433446D+01 -0.257480D+01 -0.409540D+01
               176           177           178           179           180 
      1  -0.865515D+01  0.193286D+01 -0.319538D+01  0.814838D+00 -0.115067D+02
      2   0.468787D+01  0.333142D+01  0.901639D+01  0.620295D+00  0.402812D+01
      3   0.396728D+01 -0.526429D+01 -0.582101D+01 -0.143513D+01  0.747856D+01
      4  -0.418882D+01  0.122987D+01 -0.564723D+01 -0.360474D+00 -0.423742D+01
      5   0.235026D+00 -0.877802D+01 -0.102143D+02 -0.199231D+01 -0.675358D+00
      6  -0.251943D+01  0.192057D+01 -0.287479D+01  0.147627D+01 -0.246637D+01
               181           182           183           184           185 
      1   0.396392D+02  0.584985D+02 -0.125376D+02 -0.371358D+02  0.236067D+02
      2  -0.258269D+02 -0.444010D+02  0.453831D+01  0.249378D+02 -0.246341D+02
      3  -0.138124D+02 -0.140975D+02  0.799929D+01  0.121980D+02  0.102748D+01
      4   0.132272D+02  0.319438D+02 -0.696164D+01  0.166979D+02  0.251741D+02
      5   0.360423D+00 -0.100161D+02  0.152095D+02  0.230166D+01 -0.109274D+02
      6  -0.173173D+01  0.710485D+01 -0.135368D+02 -0.667511D+01  0.929900D+01
               186           187           188           189           190 
      1  -0.315326D+01  0.683741D+01 -0.105728D+02  0.479610D+00  0.109909D+03
      2   0.493546D+01 -0.128051D+02  0.146617D+02 -0.518605D+01 -0.611002D+02
      3  -0.178220D+01  0.596773D+01 -0.408893D+01  0.470644D+01 -0.488092D+02
      4  -0.112126D+02 -0.206076D+01 -0.132266D+02 -0.200321D+02 -0.145188D+02
      5  -0.740957D+01  0.299370D+02 -0.181795D+02  0.834852D+01  0.626775D+01
      6   0.505863D+01 -0.221287D+02  0.166659D+02 -0.100702D+00  0.221744D-01
               191           192           193           194           195 
      1  -0.267342D+02 -0.369046D+00 -0.819794D+02 -0.390953D+02  0.161232D+02
      2   0.958424D+01 -0.100500D+01  0.449690D+02  0.433267D+02 -0.169421D+02
      3   0.171500D+02  0.137405D+01  0.370103D+02 -0.423144D+01  0.818853D+00
      4   0.124659D+02 -0.689574D+00 -0.409144D+02 -0.545525D+02  0.102780D+02
      5  -0.747549D+00  0.729142D+01  0.175677D+02  0.951284D+01 -0.741068D+01
      6   0.260967D+01 -0.224308D+01  0.161549D+01 -0.115558D+02 -0.436762D+01
               196           197           198           199           200 
      1   0.143182D+02  0.116742D+02  0.194234D+02 -0.113812D+03 -0.617089D+01
      2  -0.871924D+01 -0.983116D+01 -0.176603D+02  0.541164D+02  0.120029D+02
      3  -0.559896D+01 -0.184309D+01 -0.176318D+01  0.596954D+02 -0.583206D+01
      4   0.164535D+02  0.601233D+01 -0.826554D+01 -0.125924D+02 -0.235312D+02
      5   0.447745D+02 -0.143000D+02  0.176331D+01  0.371287D+01  0.101474D+02
      6  -0.448357D+01  0.789490D+01  0.334303D+01  0.725050D+01 -0.468049D+01
               201           202           203           204           205 
      1   0.827173D+01  0.110020D+03  0.497305D+01 -0.888166D+01 -0.126351D+02
      2  -0.552184D+01 -0.692093D+02 -0.151784D+02  0.863181D+01  0.988265D+01
      3  -0.274989D+01 -0.408105D+02  0.102053D+02  0.249847D+00  0.275245D+01
      4   0.810311D+01  0.155943D+02  0.222990D+02  0.150284D+01  0.563745D+00
      5   0.496936D+01 -0.328135D+01  0.215496D+01  0.131935D+02  0.616232D+01
      6   0.160162D+01  0.368261D+01  0.951366D+01  0.629938D+01  0.249511D+01
               206           207           208           209           210 
      1  -0.483872D+00 -0.110470D+02  0.185483D+02 -0.499064D+01  0.256599D+01
      2   0.343673D+01 -0.620283D+01 -0.101851D+02  0.222056D+01  0.812220D+00
      3  -0.295286D+01  0.172498D+02 -0.836319D+01  0.277008D+01 -0.337821D+01
      4   0.596056D+01  0.183178D+02 -0.194504D+02  0.111580D+02  0.277397D+01
      5   0.216888D+02 -0.884567D+01  0.164845D+01  0.198787D+01  0.202655D+02
      6   0.749151D+01  0.875343D+00  0.169338D+01 -0.839230D+00  0.809769D+00
               211           212           213           214           215 
      1  -0.166078D+02  0.171744D+01  0.299491D+01  0.307796D+01 -0.680222D-01
      2   0.680887D+01  0.187588D+01  0.236908D+01 -0.127750D+01  0.123139D+01
      3   0.979892D+01 -0.359332D+01 -0.536400D+01 -0.180046D+01 -0.116337D+01
      4   0.284731D+02 -0.226812D+02  0.422204D+01 -0.254885D+01  0.156385D+01
      5  -0.702488D+00  0.570845D+01  0.115029D+02  0.106973D+02 -0.651270D+01
      6  -0.585185D+00  0.279253D+01  0.908165D+01 -0.214419D+01  0.418150D+01
               216           217           218           219           220 
      1   0.278056D+01 -0.814094D+02  0.241129D+02  0.311430D+01  0.385734D+02
      2  -0.162346D+01  0.448308D+02 -0.121848D+02 -0.930086D+00 -0.184563D+02
      3  -0.115711D+01  0.365786D+02 -0.119281D+02 -0.218421D+01 -0.201171D+02
      4  -0.701725D+01  0.291486D+02  0.175719D+02 -0.672472D+01 -0.841984D+01
      5  -0.239944D+01  0.192281D+01 -0.656194D+01  0.964370D+01 -0.857449D+01
      6  -0.246250D+01 -0.341836D+01 -0.100297D+01  0.272855D+01 -0.353242D+01
               221           222           223           224           225 
      1   0.889485D+01 -0.100471D+02 -0.153740D+01 -0.588970D+01  0.161409D+02
      2  -0.668774D+01 -0.418323D+01 -0.383733D+01 -0.312157D+01 -0.637599D+01
      3  -0.220710D+01  0.142303D+02  0.537472D+01  0.901127D+01 -0.976490D+01
      4  -0.908765D+01 -0.200328D+02 -0.663605D+01 -0.166175D+02 -0.387871D+02
      5  -0.203602D+02 -0.636514D+02 -0.105774D+02 -0.377393D+02  0.259039D+02
      6  -0.464221D+01 -0.155662D+02 -0.855611D+01 -0.106453D+02  0.776796D+01
               226           227           228           229           230 
      1  -0.914906D+01 -0.182418D+02  0.429321D+01 -0.105647D+02 -0.463662D+02
      2   0.955735D+01  0.195302D+02 -0.322354D+01  0.115745D+02  0.552283D+02
      3  -0.408283D+00 -0.128837D+01 -0.106967D+01 -0.100977D+01 -0.886207D+01
      4   0.401122D+01  0.647645D+01 -0.986579D+00  0.312418D+01 -0.362187D+01
      5  -0.463180D+00 -0.516953D+00  0.128116D+01  0.105658D+00  0.208960D+01
      6  -0.272514D+01 -0.501267D+01  0.356862D+01 -0.301012D+01 -0.133423D+02
               231           232           233           234           235 
      1   0.941499D+01  0.273975D+01  0.969033D+01 -0.194906D+01  0.178202D+02
      2  -0.831067D+01 -0.298981D+01 -0.102375D+02  0.229371D+01  0.149822D+01
      3  -0.110432D+01  0.250063D+00  0.547130D+00 -0.344653D+00 -0.193184D+02
      4   0.944982D+00 -0.438142D+00  0.595194D+00  0.935945D+00 -0.374560D+02
      5  -0.143920D+01  0.219210D+01  0.724690D-01 -0.340499D+00  0.608063D+01
      6   0.888726D+01 -0.586753D-01  0.492281D+01 -0.264974D+01 -0.279735D+01
               236           237           238           239           240 
      1  -0.980880D+01  0.104779D+01 -0.750741D+01 -0.368591D+01  0.265181D+00
      2  -0.738258D+01  0.107829D+00 -0.133400D+02  0.307177D+02 -0.188270D+01
      3   0.171914D+02 -0.115562D+01  0.208474D+02 -0.270318D+02  0.161752D+01
      4   0.372673D+02 -0.385236D+01  0.438618D+02 -0.601937D+02  0.695698D+01
      5  -0.540115D+01  0.547569D+01 -0.797529D+01  0.948413D+01 -0.720671D+01
      6   0.299878D+01 -0.353616D+01  0.599640D+01 -0.787102D+01  0.708215D+01
               241           242           243           244           245 
      1  -0.131494D+00  0.905899D+00 -0.164968D+01  0.193514D+02  0.122960D+02
      2   0.315793D+01 -0.387526D+01  0.215307D+01 -0.761983D+01 -0.413609D+01
      3  -0.302644D+01  0.296936D+01 -0.503393D+00 -0.117316D+02 -0.815987D+01
      4  -0.545595D+01  0.750841D+01 -0.331455D+01  0.212736D+02  0.150771D+02
      5  -0.382586D+00 -0.284740D+01  0.165853D+01 -0.468820D+01 -0.302817D+01
      6   0.794289D+00  0.302158D+01 -0.183552D+01 -0.118778D+01 -0.112635D+01
               246           247           248           249           250 
      1  -0.327446D+01  0.139022D+02 -0.406483D+00 -0.654487D+00 -0.374664D+01
      2   0.157922D+01 -0.116527D+01  0.113883D+02 -0.382361D+00  0.144490D+01
      3   0.169524D+01 -0.127369D+02 -0.109818D+02  0.103685D+01  0.230175D+01
      4  -0.369627D+01  0.256620D+02  0.358458D+02 -0.719680D+01 -0.585461D+01
      5   0.273085D+01 -0.493280D+01 -0.581357D+01  0.519631D+01  0.189236D+01
      6   0.106147D+01 -0.237728D+01 -0.403027D+01  0.447764D+01  0.223386D+01
               251           252           253           254           255 
      1  -0.106099D+01 -0.634104D+00 -0.517963D+00  0.182369D+00 -0.111335D+02
      2  -0.112848D+01  0.155905D+01 -0.609795D+00 -0.420592D+00  0.315060D+01
      3   0.218947D+01 -0.924947D+00  0.112776D+01  0.238223D+00  0.798286D+01
      4  -0.759028D+01  0.168985D+01 -0.311117D+01 -0.227247D+01 -0.457801D+00
      5   0.187271D+00 -0.935002D+00 -0.624360D+01 -0.464937D-02 -0.713342D+01
      6   0.162582D+01 -0.165900D+01 -0.112448D+01  0.942191D+00 -0.277995D+01
               256           257           258           259           260 
      1   0.432672D+01  0.304016D+00  0.134759D+01 -0.296022D+02 -0.221577D+01
      2  -0.262337D+01  0.717298D+00  0.654214D+00  0.201013D+02  0.259177D+01
      3  -0.170335D+01 -0.102131D+01 -0.200180D+01  0.950088D+01 -0.376000D+00
      4   0.148502D+02  0.168693D+02 -0.154163D+02 -0.162037D+02 -0.163296D+02
      5  -0.100168D+02 -0.142130D+02  0.273916D+02  0.307594D+02  0.225951D+02
      6  -0.356132D+01 -0.633334D+01  0.109938D+02  0.801253D+01  0.969973D+01
               261           262           263           264           265 
      1  -0.440655D+01  0.201114D+03 -0.144150D+02 -0.799222D+01 -0.398472D+02
      2  -0.114466D+02 -0.105808D+03  0.853791D+01  0.510490D+01  0.219556D+02
      3   0.158532D+02 -0.953058D+02  0.587705D+01  0.288731D+01  0.178916D+02
      4   0.244742D+02 -0.500182D+01  0.156078D+02  0.944762D+00  0.196340D+02
      5  -0.648553D+02 -0.118009D+02  0.156137D+01  0.179699D+02  0.303939D+01
      6  -0.154746D+02  0.182103D+01 -0.919834D+00  0.609530D+00 -0.138400D+01
               266           267           268           269           270 
      1   0.179295D+02  0.179342D+01 -0.334228D+01  0.523673D+00  0.141035D+02
      2  -0.870026D+01 -0.870294D+00  0.269246D+01  0.177508D+00 -0.859312D+01
      3  -0.922926D+01 -0.923122D+00  0.649825D+00 -0.701181D+00 -0.551042D+01
      4  -0.925787D+01  0.541876D+00  0.869984D+00  0.150906D+01  0.196887D+01
      5   0.234926D+00 -0.258226D+01  0.212813D+02  0.119935D+01 -0.391209D+01
      6   0.990614D+00  0.142531D+01  0.341459D+00  0.196593D+01 -0.347148D+00
               271           272           273           274           275 
      1   0.706292D+01  0.462984D+01  0.862931D+01  0.183874D+02  0.659292D+01
      2  -0.270473D+01 -0.240996D+01 -0.455441D+01 -0.553831D+01  0.579625D+01
      3  -0.435818D+01 -0.221988D+01 -0.407490D+01 -0.128491D+02 -0.123892D+02
      4   0.291951D+01  0.149254D+01  0.228379D+01  0.302774D+02  0.406142D+02
      5   0.846120D+01  0.141396D+01 -0.381187D+01  0.142858D+02  0.242443D+02
      6   0.204593D+01 -0.132796D+00 -0.188344D+01  0.539356D+01  0.843813D+01
               276           277           278           279 
      1   0.249439D+01  0.311151D+02  0.622135D+01 -0.238503D+00
      2   0.340533D+01 -0.140847D+02  0.584226D+00 -0.127100D+01
      3  -0.589972D+01 -0.170304D+02 -0.680558D+01  0.150950D+01
      4   0.245776D+02  0.228886D+02  0.268862D+02  0.261347D+02
      5   0.292620D+02  0.210274D+02  0.255170D+02  0.351652D+02
      6   0.939705D+01  0.741998D+01  0.919542D+01  0.983828D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.240816D+01      0.612094D+01      0.204172D+02
   x          0.203986D+01      0.518480D+01      0.172946D+02
   y          0.124898D+01      0.317459D+01      0.105893D+02
   z          0.279794D+00      0.711167D+00      0.237220D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.181956D+03      0.269631D+02      0.300005D+02
   aniso      0.141608D+03      0.209841D+02      0.233480D+02
   xx         0.269967D+03      0.400049D+02      0.445115D+02
   yx        -0.874666D+01     -0.129612D+01     -0.144213D+01
   yy         0.163260D+03      0.241926D+02      0.269179D+02
   zx        -0.992469D+01     -0.147069D+01     -0.163636D+01
   zy        -0.770018D+01     -0.114105D+01     -0.126959D+01
   zz         0.112642D+03      0.166918D+02      0.185721D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.198024D+03      0.293441D+02      0.326497D+02
   aniso      0.154285D+03      0.228627D+02      0.254382D+02
   xx         0.293839D+03      0.435425D+02      0.484475D+02
   yx        -0.115655D+02     -0.171383D+01     -0.190689D+01
   yy         0.177482D+03      0.263001D+02      0.292628D+02
   zx        -0.995775D+01     -0.147559D+01     -0.164181D+01
   zy        -0.821138D+01     -0.121680D+01     -0.135387D+01
   zz         0.122751D+03      0.181898D+02      0.202388D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.36125389         -1.41816607          0.38114616
     6          0.33537355          0.10439936          2.60215662
     6         -0.74473635         -0.48473850         -1.85458977
     6         -1.84788188          1.87242791         -1.95451860
     6         -1.85617608          3.37046125          0.25640695
     6         -0.80238746          2.51602034          2.46521111
     6          1.50757576         -3.83826483          0.50840758
     1         -0.70548700         -1.66899112         -3.52681280
     1         -2.71980433          5.22583667          0.19444790
     1         -0.83238018          3.69427354          4.13872995
     6         -3.06978166          2.83128605         -4.35832183
     6         -5.50723755          1.41894889         -5.01119237
     6         -1.26410705          2.87514876         -6.62690359
     1         -3.54284398          4.82613786         -4.06114158
     1         -5.12520359         -0.57863706         -5.34009455
     1         -6.35551079          2.19350511         -6.71679318
     1         -6.84621825          1.57249724         -3.45338823
     8         -1.92144060          2.57213029         -8.77187145
     8          1.17958667          3.40782598         -6.09285575
     1          1.42811583          3.39760480         -4.27866804
     6          2.55994471         -4.69700004          2.69697929
     6          2.53035262         -3.17759881          4.90482844
     6          1.44023797         -0.82133312          4.85845617
     8          3.63768205         -4.24871136          6.95464317
     6          3.69006929         -2.84861559          9.23896650
     1          1.53839465         -5.00695397         -1.17125557
     1          3.43762807         -6.53934371          2.81107885
     1          1.39938037          0.36530291          6.51867992
     1          4.73574033         -1.08085059          9.00807832
     1          4.64842044         -4.03782764         10.61233927
     1          1.77813230         -2.43037751          9.90326749

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.240816D+01      0.612094D+01      0.204172D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.240816D+01      0.612094D+01      0.204172D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.181956D+03      0.269631D+02      0.300005D+02
   aniso      0.141608D+03      0.209841D+02      0.233480D+02
   xx         0.143884D+03      0.213215D+02      0.237233D+02
   yx        -0.390564D+02     -0.578757D+01     -0.643954D+01
   yy         0.173411D+03      0.256968D+02      0.285916D+02
   zx         0.490059D+02      0.726192D+01      0.807998D+01
   zy        -0.301572D+02     -0.446884D+01     -0.497226D+01
   zz         0.228573D+03      0.338710D+02      0.376866D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.198024D+03      0.293441D+02      0.326497D+02
   aniso      0.154285D+03      0.228627D+02      0.254382D+02
   xx         0.156858D+03      0.232440D+02      0.258624D+02
   yx        -0.432017D+02     -0.640183D+01     -0.712300D+01
   yy         0.190095D+03      0.281692D+02      0.313424D+02
   zx         0.530183D+02      0.785650D+01      0.874153D+01
   zy        -0.342551D+02     -0.507608D+01     -0.564790D+01
   zz         0.247119D+03      0.366193D+02      0.407444D+02

 ----------------------------------------------------------------------
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 0112,-0.00000715,-0.00000056\\\@


 A MAN IS NEVER SO BRILLIANT AS WHEN HE TAKES THE WORDS RIGHT OUT
 OF YOUR MOUTH. -- ARNOT SHEPPARD, JR.
 Job cpu time:       0 days 19 hours 47 minutes 31.1 seconds.
 Elapsed time:       0 days  2 hours 28 minutes 48.8 seconds.
 File lengths (MBytes):  RWF=    749 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 00:43:17 2021.
